ChemDB: Chemical Search
Download
Chemical ID: 5838271
Chemical ID:
5838271
Name [?]:
N-[2,4-dichloro-5-(3-fluorobenzoyl)amino-phenyl]-3-fluoro-benzamide
SMILES [?]:
c1cc(cc(c1)F)C(=O)Nc2cc(c(cc2Cl)Cl)NC(=O)c3cccc(c3)F
InChi [?]:
InChI=1/C20H12Cl2F2N2O2/c21-15-9-16(22)18(26-20(28)12-4-2-6-14(24)8-12)10-17(15)25-19(27)11-3-1-5-13(23)7-11/h1-10H,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,24,2,23,6,25,4,27,15,12,3,22,5,26,16,14,11,13,8,20,17,18,7,28,10,19,9,21/E:(1,2)(3,4)(5,6)(7,8)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)/gE:(1,2)/rA:28nCCCCCCFCONCCCCCCClClNCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s14;s13;s19;d20;s20;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H12Cl2F2N2O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7003 |
Area: | 603.043 |
Solvation: | -4.3758 |
Coulombic: | -51.3232 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 421.224 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.53 |
LogP (Chemaxon): | 4.17 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|