Chemical ID: 4512138

CC(C)CNC(=O)c1cccc(c1)NC(=O)c2ccc(c(c2)Cl)Cl
Chemical ID:
4512138
Name [?]:
3,4-dichloro-N-[3-(isobutylcarbamoyl)phenyl]-benzamide
SMILES [?]:
CC(C)CNC(=O)c1cccc(c1)NC(=O)c2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C18H18Cl2N2O2/c1-11(2)10-21-17(23)12-4-3-5-14(8-12)22-18(24)13-6-7-15(19)16(20)9-13/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,10,9,11,18,19,13,22,4,2,8,17,12,20,21,6,15,24,23,5,14,7,16/E:(1,2)/rA:24nCCCCNCOCCCCCCNCOCCCCCCClCl/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18Cl2N2O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.7703
Area:591.104
Solvation:-3.00735
Coulombic:-45.0398
Bond Count [?]
All:25
Single:17
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:365.253
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.72
LogP (Chemaxon):4.25

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