Chemical ID: 5837099

COc1ccc(c(c1)NC(=O)c2ccccc2Cl)OC
Chemical ID:
5837099
Name [?]:
2-chloro-N-(2,5-dimethoxyphenyl)-benzamide
SMILES [?]:
COc1ccc(c(c1)NC(=O)c2ccccc2Cl)OC
InChi [?]:
InChI=1/C15H14ClNO3/c1-19-10-7-8-14(20-2)13(9-10)17-15(18)11-5-3-4-6-12(11)16/h3-9H,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,20,14,15,13,16,4,5,8,3,12,17,7,6,10,18,9,11,2,19/rA:20nCOCCCCCCNCOCCCCCCClOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s6;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14ClNO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.33123
Area:471.312
Solvation:-4.45157
Coulombic:-36.6894
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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