N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]benzamide

C16H15NO3 — CID 3598985

IUPACN-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]benzamide
SMILESCc1ccc(C(=O)C(O)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H15NO3/c1-11-7-9-12(10-8-11)14(18)16(20)17-15(19)13-5-3-2-4-6-13/h2-10,16,20H,1H3,(H,17,19)
InChIKeyISDYUUQMYMQTQZ-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.93
Rot. Bonds4

About N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]benzamide

N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]benzamide (PubChem CID 3598985) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]benzamide
PubChem CID3598985
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC NameN-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]benzamide
SMILESCc1ccc(C(=O)C(O)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H15NO3/c1-11-7-9-12(10-8-11)14(18)16(20)17-15(19)13-5-3-2-4-6-13/h2-10,16,20H,1H3,(H,17,19)
InChIKeyISDYUUQMYMQTQZ-UHFFFAOYSA-N
XLogP1.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]-4-methylbenzamide
CID 27349912
N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]-4-methylbenzamide
CID 34256707
N-[hydroxy(phenyl)methyl]-4-methylbenzamide
CID 3358853
N-[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-oxo-3-phenylpropan-2-yl]-4-methylbenzamide
CID 11317217
N-[(1S)-1-hydroxy-2-oxo-2-thiophen-2-ylethyl]-4-methylbenzamide
CID 35180599
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
methyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate
CID 766450
N-[(2R,3R)-3-hydroxybutan-2-yl]-4-methylbenzamide
CID 167046854
N-(1-benzamido-2-oxo-2-phenylethyl)benzamide
CID 1101094
4-methyl-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050629
N-(1-benzylsulfanyl-2,2-dichloroethyl)-4-methylbenzamide
CID 45142514

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]benzamide?
The IUPAC name of N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]benzamide (CID 3598985) is N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]benzamide?
The canonical SMILES for N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]benzamide is Cc1ccc(C(=O)C(O)NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]benzamide?
The InChIKey is ISDYUUQMYMQTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-11-7-9-12(10-8-11)14(18)16(20)17-15(19)13-5-3-2-4-6-13/h2-10,16,20H,1H3,(H,17,19).
What are the key properties of N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]benzamide?
N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]benzamide has a molecular weight of 269.30 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]benzamide is sourced from PubChem (CID 3598985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).