N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylbenzamide

C18H18N2O2 — CID 110736530

IUPACN-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylbenzamide
SMILESCN1CC(NC(=O)c2cccc(-c3ccccc3)c2)CC1=O
InChIInChI=1S/C18H18N2O2/c1-20-12-16(11-17(20)21)19-18(22)15-9-5-8-14(10-15)13-6-3-2-4-7-13/h2-10,16H,11-12H2,1H3,(H,19,22)
InChIKeyNZGMYBICUXAVMY-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.31
Rot. Bonds3

About N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylbenzamide

N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylbenzamide (PubChem CID 110736530) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylbenzamide.

Molecular Properties

Compound NameN-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylbenzamide
PubChem CID110736530
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylbenzamide
SMILESCN1CC(NC(=O)c2cccc(-c3ccccc3)c2)CC1=O
InChIInChI=1S/C18H18N2O2/c1-20-12-16(11-17(20)21)19-18(22)15-9-5-8-14(10-15)13-6-3-2-4-7-13/h2-10,16H,11-12H2,1H3,(H,19,22)
InChIKeyNZGMYBICUXAVMY-UHFFFAOYSA-N
XLogP2.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736486
N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-phenylbenzamide
CID 110736702
methyl 3-[(1-methyl-5-oxopyrrolidin-3-yl)carbamoyl]benzoate
CID 60616666
4-[(1-methyl-5-oxopyrrolidin-3-yl)carbamoyl]benzoic acid
CID 119184714
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-oxo-3-phenylpropanamide
CID 110473177
3,4-dichloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736500
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 60616745
N-(1-methyl-2,6-dioxopiperidin-4-yl)benzamide
CID 523504
N-(1-methyl-6-oxopiperidin-3-yl)-3-(2-methyl-4-oxo-1H-quinolin-6-yl)benzamide
CID 122568138
N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(2-methyl-4-oxo-1H-quinolin-6-yl)benzamide
CID 125444812
3-(1,2,4-oxadiazol-3-yl)-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 71984467
3-phenyl-N-(1-propanoylpiperidin-4-yl)benzamide
CID 110819130

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylbenzamide?
The IUPAC name of N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylbenzamide (CID 110736530) is N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylbenzamide.
What is the SMILES notation for N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylbenzamide?
The canonical SMILES for N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylbenzamide is CN1CC(NC(=O)c2cccc(-c3ccccc3)c2)CC1=O.
What is the InChIKey of N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylbenzamide?
The InChIKey is NZGMYBICUXAVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-20-12-16(11-17(20)21)19-18(22)15-9-5-8-14(10-15)13-6-3-2-4-7-13/h2-10,16H,11-12H2,1H3,(H,19,22).
What are the key properties of N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylbenzamide?
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylbenzamide has a molecular weight of 294.35 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylbenzamide is sourced from PubChem (CID 110736530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).