1-(4-chlorophenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide

C15H18ClN3O2 — CID 119454053

IUPAC1-(4-chlorophenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
SMILESO=C(NC1CCNC1)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H18ClN3O2/c16-11-1-3-13(4-2-11)19-9-10(7-14(19)20)15(21)18-12-5-6-17-8-12/h1-4,10,12,17H,5-9H2,(H,18,21)
InChIKeyRCYUPIAZXDLVCR-UHFFFAOYSA-N
MW307.78 g/mol
LogP1.17
Rot. Bonds3

About 1-(4-chlorophenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide

1-(4-chlorophenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide (PubChem CID 119454053) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
PubChem CID119454053
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name1-(4-chlorophenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
SMILESO=C(NC1CCNC1)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H18ClN3O2/c16-11-1-3-13(4-2-11)19-9-10(7-14(19)20)15(21)18-12-5-6-17-8-12/h1-4,10,12,17H,5-9H2,(H,18,21)
InChIKeyRCYUPIAZXDLVCR-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 4002741
(3S)-1-(4-chlorophenyl)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-oxopyrrolidine-3-carboxamide
CID 97040001
1-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 120576539
(3R)-1-(4-chlorophenyl)-N-[2-(cyclopropanecarbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94168240
1-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 120554615
1-(2-chlorophenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119424407
ethyl 4-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 47051761
1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide
CID 119429326
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide
CID 119387074
(3S)-1-(4-chlorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 774003
1-(3-bromophenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide
CID 119428264
1-(4-bromo-3-methylphenyl)-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119388409

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide (CID 119454053) is 1-(4-chlorophenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide is O=C(NC1CCNC1)C1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is RCYUPIAZXDLVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c16-11-1-3-13(4-2-11)19-9-10(7-14(19)20)15(21)18-12-5-6-17-8-12/h1-4,10,12,17H,5-9H2,(H,18,21).
What are the key properties of 1-(4-chlorophenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 307.78 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 119454053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).