4-acetyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide

C17H17NO3 — CID 111115313

IUPAC4-acetyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
SMILESCC(=O)c1ccc(C(=O)NCc2ccccc2CO)cc1
InChIInChI=1S/C17H17NO3/c1-12(20)13-6-8-14(9-7-13)17(21)18-10-15-4-2-3-5-16(15)11-19/h2-9,19H,10-11H2,1H3,(H,18,21)
InChIKeyHXBFIXMWCLMLLD-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.31
Rot. Bonds5

About 4-acetyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide

4-acetyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide (PubChem CID 111115313) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-acetyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-acetyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
PubChem CID111115313
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name4-acetyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
SMILESCC(=O)c1ccc(C(=O)NCc2ccccc2CO)cc1
InChIInChI=1S/C17H17NO3/c1-12(20)13-6-8-14(9-7-13)17(21)18-10-15-4-2-3-5-16(15)11-19/h2-9,19H,10-11H2,1H3,(H,18,21)
InChIKeyHXBFIXMWCLMLLD-UHFFFAOYSA-N
XLogP2.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
CID 110902443
4-N,4-N-diethyl-1-N-[[2-(hydroxymethyl)phenyl]methyl]benzene-1,4-dicarboxamide
CID 111102347
N-[[2-(hydroxymethyl)phenyl]methyl]-4-[methyl(propyl)amino]benzamide
CID 110909622
3-N-[[2-(hydroxymethyl)phenyl]methyl]-1-N-propylbenzene-1,3-dicarboxamide
CID 111458178
6-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 110902455
N-[[2-(hydroxymethyl)phenyl]methyl]-6-methylsulfanylpyridine-3-carboxamide
CID 110929877
N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 110909083
5-bromo-N-[[2-(hydroxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 110902407
N-[[2-(hydroxymethyl)phenyl]methyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 71883331
N-benzyl-4-(hydroxymethyl)benzamide
CID 4125778
N-[[5-(benzamidomethyl)-2,4-dimethylphenyl]methyl]benzamide
CID 154149793
4-N-(3-acetylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046836

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-acetyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide (CID 111115313) is 4-acetyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-acetyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-acetyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide is CC(=O)c1ccc(C(=O)NCc2ccccc2CO)cc1.
What is the InChIKey of 4-acetyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide?
The InChIKey is HXBFIXMWCLMLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12(20)13-6-8-14(9-7-13)17(21)18-10-15-4-2-3-5-16(15)11-19/h2-9,19H,10-11H2,1H3,(H,18,21).
What are the key properties of 4-acetyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide?
4-acetyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide has a molecular weight of 283.33 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 111115313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).