Chemical ID: 7288021

Cc1cccc(c1C)NC(=O)c2ccc(cc2)CO
Chemical ID:
7288021
Name [?]:
N-(2,3-dimethylphenyl)-4-(hydroxymethyl)benzamide
SMILES [?]:
Cc1cccc(c1C)NC(=O)c2ccc(cc2)CO
InChi [?]:
InChI=1/C16H17NO2/c1-11-4-3-5-15(12(11)2)17-16(19)14-8-6-13(10-18)7-9-14/h3-9,18H,10H2,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,8,4,3,5,14,16,13,17,18,2,7,15,12,6,10,9,19,11/E:(6,7)(8,9)/rA:19nCCCCCCCCNCOCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17NO2
All Atoms:36
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.23479
Area:455.84
Solvation:-3.16121
Coulombic:-39.4464
Bond Count [?]
All:20
Single:13
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:255.312
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.84
LogP (Chemaxon):2.85

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue