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Chemical ID: 7039100
Chemical ID:
7039100
Name [?]:
N-[(2-chlorophenyl)-(2-fluorobenzoyl)amino-methyl]-2-fluoro-benzamide
SMILES [?]:
c1ccc(c(c1)C(NC(=O)c2ccccc2F)NC(=O)c3ccccc3F)Cl
InChi [?]:
InChI=1/C21H15ClF2N2O2/c22-16-10-4-1-7-13(16)19(25-20(27)14-8-2-5-11-17(14)23)26-21(28)15-9-3-6-12-18(15)24/h1-12,19H,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,13,23,2,14,24,6,12,22,3,15,25,5,11,21,4,16,26,7,9,19,28,17,27,8,18,10,20/E:(2,3)(5,6)(8,9)(11,12)(14,15)(17,18)(20,21)(23,24)(25,26)(27,28)/gE:(1,2)/rA:28nCCCCCCCNCOCCCCCCFNCOCCCCCCFCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s7;s18;d19;s19;s21;d22;s23;d24;d21s25;s26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H15ClF2N2O2 |
All Atoms: | 43 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.81624 |
Area: | 572.354 |
Solvation: | -6.4926 |
Coulombic: | -51.4217 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 400.806 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.54 |
LogP (Chemaxon): | 4.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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