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Chemical ID: 7288021
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
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Experimental Annotations
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Descriptor Annotations
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