1-[2-[(4-chlorophenyl)methylamino]phenyl]pyrrolidin-2-one

C17H17ClN2O — CID 41395637

IUPAC1-[2-[(4-chlorophenyl)methylamino]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccccc1NCc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O/c18-14-9-7-13(8-10-14)12-19-15-4-1-2-5-16(15)20-11-3-6-17(20)21/h1-2,4-5,7-10,19H,3,6,11-12H2
InChIKeyDNDXQQNNYUMSTF-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.08
Rot. Bonds4

About 1-[2-[(4-chlorophenyl)methylamino]phenyl]pyrrolidin-2-one

1-[2-[(4-chlorophenyl)methylamino]phenyl]pyrrolidin-2-one (PubChem CID 41395637) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)methylamino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)methylamino]phenyl]pyrrolidin-2-one
PubChem CID41395637
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name1-[2-[(4-chlorophenyl)methylamino]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccccc1NCc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O/c18-14-9-7-13(8-10-14)12-19-15-4-1-2-5-16(15)20-11-3-6-17(20)21/h1-2,4-5,7-10,19H,3,6,11-12H2
InChIKeyDNDXQQNNYUMSTF-UHFFFAOYSA-N
XLogP4.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(benzylamino)phenyl]pyrrolidin-2-one
CID 28682033
1-[2-(thiophen-3-ylmethylamino)phenyl]pyrrolidin-2-one
CID 28682000
1-[2-(pyridin-2-ylmethylamino)phenyl]pyrrolidin-2-one
CID 28682039
2,5-dichloro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26709772
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one
CID 31984142
1-[2-(4-methylsulfanylbutylamino)phenyl]pyrrolidin-2-one
CID 103087296
4-chloro-N-[4-oxo-4-[2-(2-oxopyrrolidin-1-yl)anilino]butyl]benzamide
CID 26955432
2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 42238821
2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 26955686
4-chloro-2-fluoro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17499343
N-[2-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide
CID 60675578
1-[2-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]pyrrolidin-2-one
CID 107441227

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)methylamino]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(4-chlorophenyl)methylamino]phenyl]pyrrolidin-2-one (CID 41395637) is 1-[2-[(4-chlorophenyl)methylamino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)methylamino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(4-chlorophenyl)methylamino]phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccccc1NCc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-[(4-chlorophenyl)methylamino]phenyl]pyrrolidin-2-one?
The InChIKey is DNDXQQNNYUMSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c18-14-9-7-13(8-10-14)12-19-15-4-1-2-5-16(15)20-11-3-6-17(20)21/h1-2,4-5,7-10,19H,3,6,11-12H2.
What are the key properties of 1-[2-[(4-chlorophenyl)methylamino]phenyl]pyrrolidin-2-one?
1-[2-[(4-chlorophenyl)methylamino]phenyl]pyrrolidin-2-one has a molecular weight of 300.79 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)methylamino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 41395637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).