2-hydroxy-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide

C16H17NO3 — CID 110909044

IUPAC2-hydroxy-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2ccccc2CO)c1O
InChIInChI=1S/C16H17NO3/c1-11-5-4-8-14(15(11)19)16(20)17-9-12-6-2-3-7-13(12)10-18/h2-8,18-19H,9-10H2,1H3,(H,17,20)
InChIKeyXZLBSULYKUQTPO-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.12
Rot. Bonds4

About 2-hydroxy-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide

2-hydroxy-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide (PubChem CID 110909044) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-hydroxy-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
PubChem CID110909044
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-hydroxy-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2ccccc2CO)c1O
InChIInChI=1S/C16H17NO3/c1-11-5-4-8-14(15(11)19)16(20)17-9-12-6-2-3-7-13(12)10-18/h2-8,18-19H,9-10H2,1H3,(H,17,20)
InChIKeyXZLBSULYKUQTPO-UHFFFAOYSA-N
XLogP2.12
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-2-nitrobenzamide
CID 110902393
2-hydroxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700654
N-[[4-(chloromethyl)phenyl]methyl]-2-hydroxy-3-methylbenzamide
CID 107233515
N-[(4-aminophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 60891251
2-hydroxy-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114956373
2-bromo-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 113338730
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 43548627
2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 62649874
N-[(3-fluorophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 28889361
N-[[2-(hydroxymethyl)phenyl]methyl]-2-methyl-3-pyridin-2-ylbenzamide
CID 109399422
2-hydroxy-N-(3-iodopropyl)-3-methylbenzamide
CID 114504231
1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide?
The IUPAC name of 2-hydroxy-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide (CID 110909044) is 2-hydroxy-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide.
What is the SMILES notation for 2-hydroxy-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide?
The canonical SMILES for 2-hydroxy-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide is Cc1cccc(C(=O)NCc2ccccc2CO)c1O.
What is the InChIKey of 2-hydroxy-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide?
The InChIKey is XZLBSULYKUQTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11-5-4-8-14(15(11)19)16(20)17-9-12-6-2-3-7-13(12)10-18/h2-8,18-19H,9-10H2,1H3,(H,17,20).
What are the key properties of 2-hydroxy-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide?
2-hydroxy-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide has a molecular weight of 271.32 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide is sourced from PubChem (CID 110909044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).