N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-phenylbenzamide

C20H22N2O2 — CID 110736702

IUPACN-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-phenylbenzamide
SMILESCC(C)N1CC(NC(=O)c2cccc(-c3ccccc3)c2)CC1=O
InChIInChI=1S/C20H22N2O2/c1-14(2)22-13-18(12-19(22)23)21-20(24)17-10-6-9-16(11-17)15-7-4-3-5-8-15/h3-11,14,18H,12-13H2,1-2H3,(H,21,24)
InChIKeyTUFJMGNVQMPSSL-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.09
Rot. Bonds4

About N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-phenylbenzamide

N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-phenylbenzamide (PubChem CID 110736702) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-phenylbenzamide.

Molecular Properties

Compound NameN-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-phenylbenzamide
PubChem CID110736702
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-phenylbenzamide
SMILESCC(C)N1CC(NC(=O)c2cccc(-c3ccccc3)c2)CC1=O
InChIInChI=1S/C20H22N2O2/c1-14(2)22-13-18(12-19(22)23)21-20(24)17-10-6-9-16(11-17)15-7-4-3-5-8-15/h3-11,14,18H,12-13H2,1-2H3,(H,21,24)
InChIKeyTUFJMGNVQMPSSL-UHFFFAOYSA-N
XLogP3.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylbenzamide
CID 110736530
2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide
CID 110736656
4-acetamido-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide
CID 110746036
N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 139002833
4-(5-acetyl-2-fluorophenyl)-N-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]benzamide
CID 126446911
N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736486
1,1-dibenzyl-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876896
2-(2-methylphenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide
CID 110736726
1-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-3-(2-phenoxyethyl)urea
CID 95774867
3-hydroxy-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]benzamide
CID 108558288
N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108876913
1-(3-fluorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876998

Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-phenylbenzamide?
The IUPAC name of N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-phenylbenzamide (CID 110736702) is N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-phenylbenzamide.
What is the SMILES notation for N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-phenylbenzamide?
The canonical SMILES for N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-phenylbenzamide is CC(C)N1CC(NC(=O)c2cccc(-c3ccccc3)c2)CC1=O.
What is the InChIKey of N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-phenylbenzamide?
The InChIKey is TUFJMGNVQMPSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14(2)22-13-18(12-19(22)23)21-20(24)17-10-6-9-16(11-17)15-7-4-3-5-8-15/h3-11,14,18H,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-phenylbenzamide?
N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-phenylbenzamide has a molecular weight of 322.41 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-phenylbenzamide is sourced from PubChem (CID 110736702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).