3-(4-amino-2-chloroanilino)-1-methylpyrrolidin-2-one

C11H14ClN3O — CID 106251681

IUPAC3-(4-amino-2-chloroanilino)-1-methylpyrrolidin-2-one
SMILESCN1CCC(Nc2ccc(N)cc2Cl)C1=O
InChIInChI=1S/C11H14ClN3O/c1-15-5-4-10(11(15)16)14-9-3-2-7(13)6-8(9)12/h2-3,6,10,14H,4-5,13H2,1H3
InChIKeyWSWZVGMFEMPJKD-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.56
Rot. Bonds2

About 3-(4-amino-2-chloroanilino)-1-methylpyrrolidin-2-one

3-(4-amino-2-chloroanilino)-1-methylpyrrolidin-2-one (PubChem CID 106251681) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 3-(4-amino-2-chloroanilino)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(4-amino-2-chloroanilino)-1-methylpyrrolidin-2-one
PubChem CID106251681
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name3-(4-amino-2-chloroanilino)-1-methylpyrrolidin-2-one
SMILESCN1CCC(Nc2ccc(N)cc2Cl)C1=O
InChIInChI=1S/C11H14ClN3O/c1-15-5-4-10(11(15)16)14-9-3-2-7(13)6-8(9)12/h2-3,6,10,14H,4-5,13H2,1H3
InChIKeyWSWZVGMFEMPJKD-UHFFFAOYSA-N
XLogP1.56
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide
CID 106252171
4-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 113266759
3-[(3,6-dichloropyridazin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106257583
5-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106250243
3-(2-amino-4-nitroanilino)-1-methylpyrrolidin-2-one
CID 106251715
(3S)-3-(2-chloro-5-methyl-4-nitroanilino)-1-methylpyrrolidin-2-one
CID 96566432
3-[(6-amino-1,3-benzothiazol-2-yl)amino]-1-methylpyrrolidin-2-one
CID 114164231
ethyl 5-amino-3-chloro-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoate
CID 106259055
3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid
CID 114165050
4-amino-N,N-dimethyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide
CID 106251745
3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
CID 114165256
3-(3-amino-2-nitroanilino)-1-methylpyrrolidin-2-one
CID 106258667

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-chloroanilino)-1-methylpyrrolidin-2-one?
The IUPAC name of 3-(4-amino-2-chloroanilino)-1-methylpyrrolidin-2-one (CID 106251681) is 3-(4-amino-2-chloroanilino)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-(4-amino-2-chloroanilino)-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-(4-amino-2-chloroanilino)-1-methylpyrrolidin-2-one is CN1CCC(Nc2ccc(N)cc2Cl)C1=O.
What is the InChIKey of 3-(4-amino-2-chloroanilino)-1-methylpyrrolidin-2-one?
The InChIKey is WSWZVGMFEMPJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-15-5-4-10(11(15)16)14-9-3-2-7(13)6-8(9)12/h2-3,6,10,14H,4-5,13H2,1H3.
What are the key properties of 3-(4-amino-2-chloroanilino)-1-methylpyrrolidin-2-one?
3-(4-amino-2-chloroanilino)-1-methylpyrrolidin-2-one has a molecular weight of 239.71 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-chloroanilino)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106251681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).