N-[hydroxy(phenyl)methyl]-4-methylbenzamide

C15H15NO2 — CID 3358853

IUPACN-[hydroxy(phenyl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(O)c2ccccc2)cc1
InChIInChI=1S/C15H15NO2/c1-11-7-9-13(10-8-11)15(18)16-14(17)12-5-3-2-4-6-12/h2-10,14,17H,1H3,(H,16,18)
InChIKeyKJZAUJWKCDWTGB-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.42
Rot. Bonds3

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

N-[hydroxy(phenyl)methyl]-4-methylbenzamide (PubChem CID 3358853) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[hydroxy(phenyl)methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[hydroxy(phenyl)methyl]-4-methylbenzamide
PubChem CID3358853
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC NameN-[hydroxy(phenyl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(O)c2ccccc2)cc1
InChIInChI=1S/C15H15NO2/c1-11-7-9-13(10-8-11)15(18)16-14(17)12-5-3-2-4-6-12/h2-10,14,17H,1H3,(H,16,18)
InChIKeyKJZAUJWKCDWTGB-UHFFFAOYSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
4-methyl-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050629
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
N-[(1S)-2,2-dichloro-1-phenylethyl]-4-methylbenzamide
CID 2303417
N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]benzamide
CID 3598985
N-[cyano(phenyl)methyl]-4-methylbenzamide
CID 10399858
N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 2812769
ethyl 2-hydroxy-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 175230442
methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 2054812
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
N-[(2R,3R)-3-hydroxybutan-2-yl]-4-methylbenzamide
CID 167046854
N,4-dimethylbenzamide;ethane;toluene
CID 143677670

Frequently Asked Questions

What is the IUPAC name of N-[hydroxy(phenyl)methyl]-4-methylbenzamide?
The IUPAC name of N-[hydroxy(phenyl)methyl]-4-methylbenzamide (CID 3358853) is N-[hydroxy(phenyl)methyl]-4-methylbenzamide.
What is the SMILES notation for N-[hydroxy(phenyl)methyl]-4-methylbenzamide?
The canonical SMILES for N-[hydroxy(phenyl)methyl]-4-methylbenzamide is Cc1ccc(C(=O)NC(O)c2ccccc2)cc1.
What is the InChIKey of N-[hydroxy(phenyl)methyl]-4-methylbenzamide?
The InChIKey is KJZAUJWKCDWTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-11-7-9-13(10-8-11)15(18)16-14(17)12-5-3-2-4-6-12/h2-10,14,17H,1H3,(H,16,18).
What are the key properties of N-[hydroxy(phenyl)methyl]-4-methylbenzamide?
N-[hydroxy(phenyl)methyl]-4-methylbenzamide has a molecular weight of 241.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[hydroxy(phenyl)methyl]-4-methylbenzamide is sourced from PubChem (CID 3358853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).