Chemical ID: 6933663

COc1cc(cc(c1)OC)C(=O)Nc2ccc(c(c2)Cl)C#N
Chemical ID:
6933663
Name [?]:
N-(3-chloro-4-cyano-phenyl)-3,5-dimethoxy-benzamide
SMILES [?]:
COc1cc(cc(c1)OC)C(=O)Nc2ccc(c(c2)Cl)C#N
InChi [?]:
InChI=1/C16H13ClN2O3/c1-21-13-5-11(6-14(8-13)22-2)16(20)19-12-4-3-10(9-18)15(17)7-12/h3-8H,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,10,16,15,4,6,19,8,21,17,5,14,3,7,18,11,20,22,13,12,2,9/E:(1,2)(5,6)(13,14)(21,22)/rA:22nCOCCCCCCOCCONCCCCCCClCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s17;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13ClN2O3
All Atoms:35
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.13332
Area:518.859
Solvation:-4.83816
Coulombic:-38.1166
Bond Count [?]
All:23
Single:15
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:316.739
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.17
LogP (Chemaxon):2.93

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