Chemical ID: 7498997

C=CCOc1ccc(cc1)NC(=O)c2ccccc2Cl
Chemical ID:
7498997
Name [?]:
N-(4-allyloxyphenyl)-2-chloro-benzamide
SMILES [?]:
C=CCOc1ccc(cc1)NC(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C16H14ClNO2/c1-2-11-20-13-9-7-12(8-10-13)18-16(19)14-5-3-4-6-15(14)17/h2-10H,1,11H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,16,17,15,18,7,9,6,10,3,8,5,14,19,12,20,11,13,4/E:(7,8)(9,10)/rA:20nCCCOCCCCCCNCOCCCCCCCl/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14ClNO2
All Atoms:34
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.86886
Area:489.191
Solvation:-3.36092
Coulombic:-31.5159
Bond Count [?]
All:21
Single:13
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:287.741
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.14
LogP (Chemaxon):4.11

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