Chemical ID: 4318607

COc1cc(cc(c1)OC)NC(=O)c2ccccc2Cl
Chemical ID:
4318607
Name [?]:
2-chloro-N-(3,5-dimethoxyphenyl)-benzamide
SMILES [?]:
COc1cc(cc(c1)OC)NC(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C15H14ClNO3/c1-19-11-7-10(8-12(9-11)20-2)17-15(18)13-5-3-4-6-14(13)16/h3-9H,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,10,16,17,15,18,4,6,8,5,3,7,14,19,12,20,11,13,2,9/E:(1,2)(7,8)(11,12)(19,20)/rA:20nCOCCCCCCOCNCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14ClNO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.12722
Area:472.189
Solvation:-4.67751
Coulombic:-35.7072
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:291.729
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.45
LogP (Chemaxon):3.12

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Descriptor Annotations

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