1-(2-amino-4,5-dichlorophenyl)-4-chloropyrrolidin-2-one

C10H9Cl3N2O — CID 168688969

IUPAC1-(2-amino-4,5-dichlorophenyl)-4-chloropyrrolidin-2-one
SMILESNc1cc(Cl)c(Cl)cc1N1CC(Cl)CC1=O
InChIInChI=1S/C10H9Cl3N2O/c11-5-1-10(16)15(4-5)9-3-7(13)6(12)2-8(9)14/h2-3,5H,1,4,14H2
InChIKeyKDPAJGZCFDBXGS-UHFFFAOYSA-N
MW279.55 g/mol
LogP2.92
Rot. Bonds1

About 1-(2-amino-4,5-dichlorophenyl)-4-chloropyrrolidin-2-one

1-(2-amino-4,5-dichlorophenyl)-4-chloropyrrolidin-2-one (PubChem CID 168688969) has the molecular formula C10H9Cl3N2O and a molecular weight of 279.55 g/mol. Its IUPAC name is 1-(2-amino-4,5-dichlorophenyl)-4-chloropyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-amino-4,5-dichlorophenyl)-4-chloropyrrolidin-2-one
PubChem CID168688969
Molecular FormulaC10H9Cl3N2O
Molecular Weight279.55 g/mol
Exact Mass277.98
IUPAC Name1-(2-amino-4,5-dichlorophenyl)-4-chloropyrrolidin-2-one
SMILESNc1cc(Cl)c(Cl)cc1N1CC(Cl)CC1=O
InChIInChI=1S/C10H9Cl3N2O/c11-5-1-10(16)15(4-5)9-3-7(13)6(12)2-8(9)14/h2-3,5H,1,4,14H2
InChIKeyKDPAJGZCFDBXGS-UHFFFAOYSA-N
XLogP2.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.55
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-amino-4,5-dichlorophenyl)-4-chloropyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(2-amino-4,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694490
1-(2-amino-4-methylphenyl)-4-chloropyrrolidin-2-one
CID 168688085
4-chloro-1-(3,5-dichloro-2,4-difluorophenyl)pyrrolidin-2-one
CID 168689041
4-chloro-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one
CID 168689693
1-(2-amino-4-chloro-5-methylphenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168504385
4-chloro-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one
CID 168687983
1-(4-amino-2,5-dichlorophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505396
1-(2-amino-3,5-dimethylphenyl)-4-chloropyrrolidin-2-one
CID 168688113
4-chloro-1-(2-chloro-5-nitrophenyl)pyrrolidin-2-one
CID 168689091
1-(2-amino-4-chloro-5-methylphenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168507706
4-chloro-1-(2,4-dimethylphenyl)pyrrolidin-2-one
CID 168688073
4-chloro-1-(2,4-difluorophenyl)pyrrolidin-2-one
CID 168689348

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4,5-dichlorophenyl)-4-chloropyrrolidin-2-one?
The IUPAC name of 1-(2-amino-4,5-dichlorophenyl)-4-chloropyrrolidin-2-one (CID 168688969) is 1-(2-amino-4,5-dichlorophenyl)-4-chloropyrrolidin-2-one.
What is the SMILES notation for 1-(2-amino-4,5-dichlorophenyl)-4-chloropyrrolidin-2-one?
The canonical SMILES for 1-(2-amino-4,5-dichlorophenyl)-4-chloropyrrolidin-2-one is Nc1cc(Cl)c(Cl)cc1N1CC(Cl)CC1=O.
What is the InChIKey of 1-(2-amino-4,5-dichlorophenyl)-4-chloropyrrolidin-2-one?
The InChIKey is KDPAJGZCFDBXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3N2O/c11-5-1-10(16)15(4-5)9-3-7(13)6(12)2-8(9)14/h2-3,5H,1,4,14H2.
What are the key properties of 1-(2-amino-4,5-dichlorophenyl)-4-chloropyrrolidin-2-one?
1-(2-amino-4,5-dichlorophenyl)-4-chloropyrrolidin-2-one has a molecular weight of 279.55 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4,5-dichlorophenyl)-4-chloropyrrolidin-2-one is sourced from PubChem (CID 168688969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).