Chemical ID: 7020441

c1ccc(c(c1)C(NC(=O)c2ccc(cc2)Cl)NC(=O)c3ccc(cc3)Cl)F
Chemical ID:
7020441
Name [?]:
4-chloro-N-[(4-chlorobenzoyl)amino-(2-fluorophenyl)-methyl]-benzamide
SMILES [?]:
c1ccc(c(c1)C(NC(=O)c2ccc(cc2)Cl)NC(=O)c3ccc(cc3)Cl)F
InChi [?]:
InChI=1/C21H15Cl2FN2O2/c22-15-9-5-13(6-10-15)20(27)25-19(17-3-1-2-4-18(17)24)26-21(28)14-7-11-16(23)12-8-14/h1-12,19H,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,16,22,26,13,15,23,25,11,21,14,24,5,4,7,9,19,17,27,28,8,18,10,20/E:(5,6,7,8)(9,10,11,12)(13,14)(15,16)(20,21)(22,23)(25,26)(27,28)/gE:(1,2)/rA:28nCCCCCCCNCOCCCCCCClNCOCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s7;s18;d19;s19;s21;d22;s23;d24;d21s25;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H15Cl2FN2O2
All Atoms:43
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.6416
Area:630.868
Solvation:-4.13006
Coulombic:-50.4789
Bond Count [?]
All:30
Single:19
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:417.26
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:6.0
LogP (Chemaxon):5.0

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Descriptor Annotations

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