3-(2-oxopyrrolidin-1-yl)-N-[(1-phenylcyclopropyl)methyl]benzamide

C21H22N2O2 — CID 51317766

IUPAC3-(2-oxopyrrolidin-1-yl)-N-[(1-phenylcyclopropyl)methyl]benzamide
SMILESO=C(NCC1(c2ccccc2)CC1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C21H22N2O2/c24-19-10-5-13-23(19)18-9-4-6-16(14-18)20(25)22-15-21(11-12-21)17-7-2-1-3-8-17/h1-4,6-9,14H,5,10-13,15H2,(H,22,25)
InChIKeyWJONTNWSQBIMJF-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.28
Rot. Bonds5

About 3-(2-oxopyrrolidin-1-yl)-N-[(1-phenylcyclopropyl)methyl]benzamide

3-(2-oxopyrrolidin-1-yl)-N-[(1-phenylcyclopropyl)methyl]benzamide (PubChem CID 51317766) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-(2-oxopyrrolidin-1-yl)-N-[(1-phenylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name3-(2-oxopyrrolidin-1-yl)-N-[(1-phenylcyclopropyl)methyl]benzamide
PubChem CID51317766
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name3-(2-oxopyrrolidin-1-yl)-N-[(1-phenylcyclopropyl)methyl]benzamide
SMILESO=C(NCC1(c2ccccc2)CC1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C21H22N2O2/c24-19-10-5-13-23(19)18-9-4-6-16(14-18)20(25)22-15-21(11-12-21)17-7-2-1-3-8-17/h1-4,6-9,14H,5,10-13,15H2,(H,22,25)
InChIKeyWJONTNWSQBIMJF-UHFFFAOYSA-N
XLogP3.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 17431388
N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816876
N-(2-methyl-2-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46414391
3-(2-oxopyrrolidin-1-yl)-N-[2-(phenylsulfamoyl)ethyl]benzamide
CID 110615723
3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-propylbenzamide
CID 55705699
N-[(1-phenylcyclopropyl)methyl]-3-(tetrazol-1-yl)benzamide
CID 51317271
N-[2-(N-methylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 94476724
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
N-[1-(aminomethyl)cyclopentyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 119566322
N-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 119496776
3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 18153649

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopyrrolidin-1-yl)-N-[(1-phenylcyclopropyl)methyl]benzamide?
The IUPAC name of 3-(2-oxopyrrolidin-1-yl)-N-[(1-phenylcyclopropyl)methyl]benzamide (CID 51317766) is 3-(2-oxopyrrolidin-1-yl)-N-[(1-phenylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 3-(2-oxopyrrolidin-1-yl)-N-[(1-phenylcyclopropyl)methyl]benzamide?
The canonical SMILES for 3-(2-oxopyrrolidin-1-yl)-N-[(1-phenylcyclopropyl)methyl]benzamide is O=C(NCC1(c2ccccc2)CC1)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of 3-(2-oxopyrrolidin-1-yl)-N-[(1-phenylcyclopropyl)methyl]benzamide?
The InChIKey is WJONTNWSQBIMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-19-10-5-13-23(19)18-9-4-6-16(14-18)20(25)22-15-21(11-12-21)17-7-2-1-3-8-17/h1-4,6-9,14H,5,10-13,15H2,(H,22,25).
What are the key properties of 3-(2-oxopyrrolidin-1-yl)-N-[(1-phenylcyclopropyl)methyl]benzamide?
3-(2-oxopyrrolidin-1-yl)-N-[(1-phenylcyclopropyl)methyl]benzamide has a molecular weight of 334.42 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopyrrolidin-1-yl)-N-[(1-phenylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 51317766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).