Chemical ID: 6372145

c1cc(cc(c1)F)C(=O)NCc2ccc(cc2)CNC(=O)c3cccc(c3)F
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

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