2-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylbenzamide

C16H17NO3 — CID 63311354

IUPAC2-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2cccc(CO)c2)c(O)c1
InChIInChI=1S/C16H17NO3/c1-11-5-6-14(15(19)7-11)16(20)17-9-12-3-2-4-13(8-12)10-18/h2-8,18-19H,9-10H2,1H3,(H,17,20)
InChIKeySVSNTHAQSJMTLX-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.12
Rot. Bonds4

About 2-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylbenzamide

2-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylbenzamide (PubChem CID 63311354) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylbenzamide
PubChem CID63311354
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2cccc(CO)c2)c(O)c1
InChIInChI=1S/C16H17NO3/c1-11-5-6-14(15(19)7-11)16(20)17-9-12-3-2-4-13(8-12)10-18/h2-8,18-19H,9-10H2,1H3,(H,17,20)
InChIKeySVSNTHAQSJMTLX-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

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Related Compounds

N-[[3-(aminomethyl)phenyl]methyl]-2-hydroxy-4-methylbenzamide
CID 43589395
2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide
CID 114343999
N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide
CID 63311041
N-[(4-chlorophenyl)methyl]-2-hydroxy-4-methylbenzamide
CID 25243582
N-[(3-hydroxyphenyl)methyl]-2,4-dimethylbenzamide
CID 47292289
3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-5-methylbenzamide
CID 115663338
2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 99835975
2-hydroxy-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 31694167
2-fluoro-N-[(3-hydroxyphenyl)methyl]-4-methylbenzamide
CID 79795606
2,4-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311480
2,3,4-trifluoro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 79755129
N-[(1-benzylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide
CID 86991697

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylbenzamide?
The IUPAC name of 2-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylbenzamide (CID 63311354) is 2-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylbenzamide.
What is the SMILES notation for 2-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylbenzamide?
The canonical SMILES for 2-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCc2cccc(CO)c2)c(O)c1.
What is the InChIKey of 2-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylbenzamide?
The InChIKey is SVSNTHAQSJMTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11-5-6-14(15(19)7-11)16(20)17-9-12-3-2-4-13(8-12)10-18/h2-8,18-19H,9-10H2,1H3,(H,17,20).
What are the key properties of 2-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylbenzamide?
2-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-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-[[3-(hydroxymethyl)phenyl]methyl]-4-methylbenzamide is sourced from PubChem (CID 63311354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).