N-[methyl-(2-oxo-1-phenylethyl)carbamoyl]benzamide

C17H16N2O3 — CID 54305450

IUPACN-[methyl-(2-oxo-1-phenylethyl)carbamoyl]benzamide
SMILESCN(C(=O)NC(=O)c1ccccc1)C(C=O)c1ccccc1
InChIInChI=1S/C17H16N2O3/c1-19(15(12-20)13-8-4-2-5-9-13)17(22)18-16(21)14-10-6-3-7-11-14/h2-12,15H,1H3,(H,18,21,22)
InChIKeyHTBHEAIWBIRXSP-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.41
Rot. Bonds4

About N-[methyl-(2-oxo-1-phenylethyl)carbamoyl]benzamide

N-[methyl-(2-oxo-1-phenylethyl)carbamoyl]benzamide (PubChem CID 54305450) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[methyl-(2-oxo-1-phenylethyl)carbamoyl]benzamide.

Molecular Properties

Compound NameN-[methyl-(2-oxo-1-phenylethyl)carbamoyl]benzamide
PubChem CID54305450
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-[methyl-(2-oxo-1-phenylethyl)carbamoyl]benzamide
SMILESCN(C(=O)NC(=O)c1ccccc1)C(C=O)c1ccccc1
InChIInChI=1S/C17H16N2O3/c1-19(15(12-20)13-8-4-2-5-9-13)17(22)18-16(21)14-10-6-3-7-11-14/h2-12,15H,1H3,(H,18,21,22)
InChIKeyHTBHEAIWBIRXSP-UHFFFAOYSA-N
XLogP2.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[hydroxycarbamoyl(methyl)carbamoyl]benzamide
CID 87958715
N-methylbenzamide
CID 11954
ethane;N-methylbenzamide;2-methylpropane
CID 161462553
N-[(2R)-1-oxopropan-2-yl]benzamide
CID 59710359
N-methylbenzamide;molecular hydrogen
CID 142972595
lithium;hydride;N-methylbenzamide
CID 173287348
N-(benzhydrylcarbamoyl)benzamide
CID 2850647
N-(3,3-diphenylpropanoyl)benzamide
CID 101440172
N-[methyl(pentyl)carbamoyl]benzamide
CID 3378648
N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 40591318
N-[(Z)-1-(dimethylamino)-3-oxobut-1-en-2-yl]benzamide
CID 12030798
CID 66812751
CID 66812751

Frequently Asked Questions

What is the IUPAC name of N-[methyl-(2-oxo-1-phenylethyl)carbamoyl]benzamide?
The IUPAC name of N-[methyl-(2-oxo-1-phenylethyl)carbamoyl]benzamide (CID 54305450) is N-[methyl-(2-oxo-1-phenylethyl)carbamoyl]benzamide.
What is the SMILES notation for N-[methyl-(2-oxo-1-phenylethyl)carbamoyl]benzamide?
The canonical SMILES for N-[methyl-(2-oxo-1-phenylethyl)carbamoyl]benzamide is CN(C(=O)NC(=O)c1ccccc1)C(C=O)c1ccccc1.
What is the InChIKey of N-[methyl-(2-oxo-1-phenylethyl)carbamoyl]benzamide?
The InChIKey is HTBHEAIWBIRXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-19(15(12-20)13-8-4-2-5-9-13)17(22)18-16(21)14-10-6-3-7-11-14/h2-12,15H,1H3,(H,18,21,22).
What are the key properties of N-[methyl-(2-oxo-1-phenylethyl)carbamoyl]benzamide?
N-[methyl-(2-oxo-1-phenylethyl)carbamoyl]benzamide has a molecular weight of 296.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methyl-(2-oxo-1-phenylethyl)carbamoyl]benzamide is sourced from PubChem (CID 54305450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).