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Chemical ID: 6372145
Chemical ID:
6372145
Name [?]:
3-fluoro-N-[[4-[(3-fluorobenzoyl)aminomethyl]phenyl]methyl]benzamide
SMILES [?]:
c1cc(cc(c1)F)C(=O)NCc2ccc(cc2)CNC(=O)c3cccc(c3)F
InChi [?]:
InChI=1/C22H18F2N2O2/c23-19-5-1-3-17(11-19)21(27)25-13-15-7-9-16(10-8-15)14-26-22(28)18-4-2-6-20(24)12-18/h1-12H,13-14H2,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,24,2,23,6,25,13,17,14,16,4,27,11,18,12,15,3,22,5,26,8,20,7,28,10,19,9,21/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)/gE:(1,2)/rA:28nCCCCCCFCONCCCCCCCCNCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18F2N2O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8043 |
Area: | 619.07 |
Solvation: | -4.67246 |
Coulombic: | -53.141 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 380.387 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.57 |
LogP (Chemaxon): | 3.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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