3-[2-[(3-chlorophenyl)methoxy]anilino]pyrrolidin-2-one

C17H17ClN2O2 — CID 126778663

IUPAC3-[2-[(3-chlorophenyl)methoxy]anilino]pyrrolidin-2-one
SMILESO=C1NCCC1Nc1ccccc1OCc1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2O2/c18-13-5-3-4-12(10-13)11-22-16-7-2-1-6-14(16)20-15-8-9-19-17(15)21/h1-7,10,15,20H,8-9,11H2,(H,19,21)
InChIKeyVGSZFFAIYPFPSB-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.22
Rot. Bonds5

About 3-[2-[(3-chlorophenyl)methoxy]anilino]pyrrolidin-2-one

3-[2-[(3-chlorophenyl)methoxy]anilino]pyrrolidin-2-one (PubChem CID 126778663) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 3-[2-[(3-chlorophenyl)methoxy]anilino]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[2-[(3-chlorophenyl)methoxy]anilino]pyrrolidin-2-one
PubChem CID126778663
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name3-[2-[(3-chlorophenyl)methoxy]anilino]pyrrolidin-2-one
SMILESO=C1NCCC1Nc1ccccc1OCc1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2O2/c18-13-5-3-4-12(10-13)11-22-16-7-2-1-6-14(16)20-15-8-9-19-17(15)21/h1-7,10,15,20H,8-9,11H2,(H,19,21)
InChIKeyVGSZFFAIYPFPSB-UHFFFAOYSA-N
XLogP3.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[2-[(3-chlorophenyl)methoxy]phenyl]pyrrolidine-3-carboxamide
CID 124594929
3-(2-iodoanilino)pyrrolidin-2-one
CID 130703333
2-[(3-chlorophenyl)methoxy]phenol
CID 18947333
3-amino-N-[2-[(3-chlorophenyl)methoxy]phenyl]-2-methylbutanamide;hydrochloride
CID 120501253
N-[[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 114319312
(3S)-3-[(3-chlorophenyl)methyl]piperidin-2-one
CID 124592994
1-tert-butyl-2-[(3-chlorophenyl)methoxy]benzene
CID 64765327
2-[(3-chlorophenyl)methoxy]-6-methylaniline
CID 43438078
5-[(3-chlorophenyl)methoxy]-N-cyclopentyl-4-oxo-1H-pyridine-2-carboxamide
CID 91641085
4-[(3-chlorophenyl)methoxy]naphthalen-1-amine
CID 63690468
benzyl N-[(2-oxopyrrolidin-3-yl)amino]carbamate
CID 174500033
3-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylamino]pyrrolidin-2-one
CID 67000106

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-chlorophenyl)methoxy]anilino]pyrrolidin-2-one?
The IUPAC name of 3-[2-[(3-chlorophenyl)methoxy]anilino]pyrrolidin-2-one (CID 126778663) is 3-[2-[(3-chlorophenyl)methoxy]anilino]pyrrolidin-2-one.
What is the SMILES notation for 3-[2-[(3-chlorophenyl)methoxy]anilino]pyrrolidin-2-one?
The canonical SMILES for 3-[2-[(3-chlorophenyl)methoxy]anilino]pyrrolidin-2-one is O=C1NCCC1Nc1ccccc1OCc1cccc(Cl)c1.
What is the InChIKey of 3-[2-[(3-chlorophenyl)methoxy]anilino]pyrrolidin-2-one?
The InChIKey is VGSZFFAIYPFPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c18-13-5-3-4-12(10-13)11-22-16-7-2-1-6-14(16)20-15-8-9-19-17(15)21/h1-7,10,15,20H,8-9,11H2,(H,19,21).
What are the key properties of 3-[2-[(3-chlorophenyl)methoxy]anilino]pyrrolidin-2-one?
3-[2-[(3-chlorophenyl)methoxy]anilino]pyrrolidin-2-one has a molecular weight of 316.79 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-chlorophenyl)methoxy]anilino]pyrrolidin-2-one is sourced from PubChem (CID 126778663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).