N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide

C15H18ClN3O2 — CID 119321878

IUPACN-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CC(=O)N(c2ccccc2Cl)C1)C1CCCN1
InChIInChI=1S/C15H18ClN3O2/c16-11-4-1-2-6-13(11)19-9-10(8-14(19)20)18-15(21)12-5-3-7-17-12/h1-2,4,6,10,12,17H,3,5,7-9H2,(H,18,21)
InChIKeyNCLOZRMCIHJYQU-UHFFFAOYSA-N
MW307.78 g/mol
LogP1.31
Rot. Bonds3

About N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide

N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide (PubChem CID 119321878) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
PubChem CID119321878
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CC(=O)N(c2ccccc2Cl)C1)C1CCCN1
InChIInChI=1S/C15H18ClN3O2/c16-11-4-1-2-6-13(11)19-9-10(8-14(19)20)18-15(21)12-5-3-7-17-12/h1-2,4,6,10,12,17H,3,5,7-9H2,(H,18,21)
InChIKeyNCLOZRMCIHJYQU-UHFFFAOYSA-N
XLogP1.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119424407
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxamide;hydrochloride
CID 119321185
N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 119342635
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119343394
(2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]oxolane-2-carboxamide;hydrochloride
CID 120792805
N-(4-aminocyclohexyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119474578
(2R)-N-(2,3-dihydro-1H-inden-2-yl)pyrrolidine-2-carboxamide
CID 114007941
1-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 51240390
(2S)-N-[(3R)-1-[(1R,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 125152785
1-[[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]carbamoyl]cyclopent-3-ene-1-carboxylic acid
CID 146136082
N-(1-benzylpyrrolidin-3-yl)pyrrolidine-2-carboxamide
CID 43424739
(2S)-N-[(3R)-1-(2-amino-2-oxoethyl)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 10083650

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide (CID 119321878) is N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide is O=C(NC1CC(=O)N(c2ccccc2Cl)C1)C1CCCN1.
What is the InChIKey of N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is NCLOZRMCIHJYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c16-11-4-1-2-6-13(11)19-9-10(8-14(19)20)18-15(21)12-5-3-7-17-12/h1-2,4,6,10,12,17H,3,5,7-9H2,(H,18,21).
What are the key properties of N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 307.78 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119321878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).