1-(2-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide

C11H11Cl2N3O2 — CID 168698272

IUPAC1-(2-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cc(Cl)cc(Cl)c2N)C1
InChIInChI=1S/C11H11Cl2N3O2/c12-6-2-7(13)10(14)8(3-6)16-4-5(11(15)18)1-9(16)17/h2-3,5H,1,4,14H2,(H2,15,18)
InChIKeyLYMPIXFEHRRRJQ-UHFFFAOYSA-N
MW288.13 g/mol
LogP1.41
Rot. Bonds2

About 1-(2-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide

1-(2-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168698272) has the molecular formula C11H11Cl2N3O2 and a molecular weight of 288.13 g/mol. Its IUPAC name is 1-(2-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168698272
Molecular FormulaC11H11Cl2N3O2
Molecular Weight288.13 g/mol
Exact Mass287.02
IUPAC Name1-(2-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cc(Cl)cc(Cl)c2N)C1
InChIInChI=1S/C11H11Cl2N3O2/c12-6-2-7(13)10(14)8(3-6)16-4-5(11(15)18)1-9(16)17/h2-3,5H,1,4,14H2,(H2,15,18)
InChIKeyLYMPIXFEHRRRJQ-UHFFFAOYSA-N
XLogP1.41
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide 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

1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697901
4-amino-1-(2-amino-3,5-dichlorophenyl)pyrrolidin-2-one
CID 168701038
(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42579807
1-(4,5-dichloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696708
S-[1-(2-amino-3,5-dichlorophenyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168707102
1-(3,5-dichloro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698108
1-(2-bromo-5-chloro-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698278
1-(3,5-dichloro-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697676
(3S)-1-(4-carbamoyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 94076113
1-(2-amino-3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696812
1-(2-amino-3,5-dichlorophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168506024
(3S)-1-(4-chloro-2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94075985

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 168698272) is 1-(2-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2cc(Cl)cc(Cl)c2N)C1.
What is the InChIKey of 1-(2-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LYMPIXFEHRRRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O2/c12-6-2-7(13)10(14)8(3-6)16-4-5(11(15)18)1-9(16)17/h2-3,5H,1,4,14H2,(H2,15,18).
What are the key properties of 1-(2-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
1-(2-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 288.13 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168698272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).