Chemical ID: 6170792

CC(=O)c1ccc(cc1)NC(=O)c2cc(c(c(c2)Cl)OC)Cl
Chemical ID:
6170792
Name [?]:
N-(4-acetylphenyl)-3,5-dichloro-4-methoxy-benzamide
SMILES [?]:
CC(=O)c1ccc(cc1)NC(=O)c2cc(c(c(c2)Cl)OC)Cl
InChi [?]:
InChI=1/C16H13Cl2NO3/c1-9(20)10-3-5-12(6-4-10)19-16(21)11-7-13(17)15(22-2)14(18)8-11/h3-8H,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,21,5,9,6,8,14,18,2,4,13,7,15,17,16,11,22,19,10,3,12,20/E:(3,4)(5,6)(7,8)(13,14)(17,18)/rA:22nCCOCCCCCCNCOCCCCCCClOCCl/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;s16;s20;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13Cl2NO3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.02488
Area:530.936
Solvation:-4.24852
Coulombic:-36.6455
Bond Count [?]
All:23
Single:15
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:338.185
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.99
LogP (Chemaxon):3.19

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Descriptor Annotations

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