Chemical ID: 6771419

CC(c1ccccc1)NC(=O)c2ccc(c(c2)NC(=O)Nc3ccc(c(c3)Cl)Cl)Cl
Chemical ID:
6771419
Name [?]:
4-chloro-3-[(3,4-dichlorophenyl)carbamoylamino]-N-(1-phenylethyl)benzamide
SMILES [?]:
CC(c1ccccc1)NC(=O)c2ccc(c(c2)NC(=O)Nc3ccc(c(c3)Cl)Cl)Cl
InChi [?]:
InChI=1/C22H18Cl3N3O2/c1-13(14-5-3-2-4-6-14)26-21(29)15-7-9-18(24)20(11-15)28-22(30)27-16-8-10-17(23)19(25)12-16/h2-13H,1H3,(H,26,29)(H2,27,28,30)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,8,13,23,14,24,17,27,2,3,12,22,25,15,26,16,10,19,29,30,28,9,21,18,11,20/E:(3,4)(5,6)/rA:30cCCCCCCCCNCOCCCCCCNCONCCCCCCClClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;s25;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18Cl3N3O2
All Atoms:48
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:14.136
Area:691.21
Solvation:-3.14427
Coulombic:-59.1229
Bond Count [?]
All:32
Single:21
Double:11
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:462.755
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:5.99
LogP (Chemaxon):5.5

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Descriptor Annotations

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