4-(4-amino-2-chloroanilino)pyrrolidin-2-one

C10H12ClN3O — CID 106182668

IUPAC4-(4-amino-2-chloroanilino)pyrrolidin-2-one
SMILESNc1ccc(NC2CNC(=O)C2)c(Cl)c1
InChIInChI=1S/C10H12ClN3O/c11-8-3-6(12)1-2-9(8)14-7-4-10(15)13-5-7/h1-3,7,14H,4-5,12H2,(H,13,15)
InChIKeyCJYMXCIMCNWVDA-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.22
Rot. Bonds2

About 4-(4-amino-2-chloroanilino)pyrrolidin-2-one

4-(4-amino-2-chloroanilino)pyrrolidin-2-one (PubChem CID 106182668) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 4-(4-amino-2-chloroanilino)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-amino-2-chloroanilino)pyrrolidin-2-one
PubChem CID106182668
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name4-(4-amino-2-chloroanilino)pyrrolidin-2-one
SMILESNc1ccc(NC2CNC(=O)C2)c(Cl)c1
InChIInChI=1S/C10H12ClN3O/c11-8-3-6(12)1-2-9(8)14-7-4-10(15)13-5-7/h1-3,7,14H,4-5,12H2,(H,13,15)
InChIKeyCJYMXCIMCNWVDA-UHFFFAOYSA-N
XLogP1.22
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-amino-2-methylanilino)pyrrolidin-2-one
CID 106183059
4-(2-amino-5-chloro-4-fluoroanilino)pyrrolidin-2-one
CID 106183056
5-(4-amino-2-fluoroanilino)piperidin-2-one
CID 63660993
5-chloro-2-[(5-oxopyrrolidin-3-yl)amino]benzoic acid
CID 106189904
3-amino-4-[(5-oxopyrrolidin-3-yl)amino]benzonitrile
CID 106182837
4-amino-2-chloro-N-(6-oxopiperidin-3-yl)benzamide
CID 55245874
5-(2-chloro-4-nitroanilino)piperidin-2-one
CID 62490251
4-(4-amino-2-bromo-5-methylanilino)pyrrolidin-2-one
CID 106183183
5-amino-2-methyl-3-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide
CID 106183083
4-[(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)amino]pyrrolidin-2-one
CID 114155126
4-(2-amino-4,5-dimethoxyanilino)pyrrolidin-2-one
CID 114155142
5-fluoro-2-[(5-oxopyrrolidin-3-yl)amino]benzenecarbothioamide
CID 106189261

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-chloroanilino)pyrrolidin-2-one?
The IUPAC name of 4-(4-amino-2-chloroanilino)pyrrolidin-2-one (CID 106182668) is 4-(4-amino-2-chloroanilino)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-amino-2-chloroanilino)pyrrolidin-2-one?
The canonical SMILES for 4-(4-amino-2-chloroanilino)pyrrolidin-2-one is Nc1ccc(NC2CNC(=O)C2)c(Cl)c1.
What is the InChIKey of 4-(4-amino-2-chloroanilino)pyrrolidin-2-one?
The InChIKey is CJYMXCIMCNWVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c11-8-3-6(12)1-2-9(8)14-7-4-10(15)13-5-7/h1-3,7,14H,4-5,12H2,(H,13,15).
What are the key properties of 4-(4-amino-2-chloroanilino)pyrrolidin-2-one?
4-(4-amino-2-chloroanilino)pyrrolidin-2-one has a molecular weight of 225.68 g/mol, XLogP of 1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-chloroanilino)pyrrolidin-2-one is sourced from PubChem (CID 106182668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).