Chemical ID: 7486726

c1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)NNC(=O)c3cccc(c3)Cl
Chemical ID:
7486726
Name [?]:
N-[4-[(3-chlorobenzoyl)aminocarbamoyl]phenyl]benzamide
SMILES [?]:
c1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)NNC(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C21H16ClN3O3/c22-17-8-4-7-16(13-17)21(28)25-24-20(27)15-9-11-18(12-10-15)23-19(26)14-5-2-1-3-6-14/h1-13H,(H,23,26)(H,24,27)(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,24,3,5,23,25,12,14,11,15,27,4,13,22,26,10,7,16,20,28,9,18,19,8,17,21/E:(2,3)(5,6)(9,10)(11,12)/rA:28nCCCCCCCONCCCCCCCONNCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;d16;s16;s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H16ClN3O3
All Atoms:44
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.2943
Area:639.134
Solvation:-3.6841
Coulombic:-61.5048
Bond Count [?]
All:30
Single:18
Double:12
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:393.823
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:4.62
LogP (Chemaxon):3.62

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Descriptor Annotations

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