3-amino-4-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

C13H16ClN3O2 — CID 112687673

IUPAC3-amino-4-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESNc1cc(C(=O)NCC(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C13H16ClN3O2/c14-10-4-3-9(7-11(10)15)13(19)16-8-12(18)17-5-1-2-6-17/h3-4,7H,1-2,5-6,8,15H2,(H,16,19)
InChIKeyVAKPUYALMWNJEN-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.27
Rot. Bonds3

About 3-amino-4-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

3-amino-4-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 112687673) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
PubChem CID112687673
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name3-amino-4-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESNc1cc(C(=O)NCC(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C13H16ClN3O2/c14-10-4-3-9(7-11(10)15)13(19)16-8-12(18)17-5-1-2-6-17/h3-4,7H,1-2,5-6,8,15H2,(H,16,19)
InChIKeyVAKPUYALMWNJEN-UHFFFAOYSA-N
XLogP1.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-4-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide 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

3,4-dichloro-N-[2-oxo-2-(1,4-thiazepan-4-yl)ethyl]benzamide
CID 86846006
2-amino-6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 70334221
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide
CID 119373866
2,5-dichloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 70640697
[2-(azepan-1-yl)-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 2432654
N-(2-oxo-2-piperidin-1-ylethyl)naphthalene-2-carboxamide
CID 24539686
4-(chloromethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 113405963
6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 46525121
5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112683751
3-bromo-4-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 107990145
4-(aminomethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 119277149
4-bromo-3-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112687414

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 3-amino-4-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (CID 112687673) is 3-amino-4-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 3-amino-4-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide is Nc1cc(C(=O)NCC(=O)N2CCCC2)ccc1Cl.
What is the InChIKey of 3-amino-4-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is VAKPUYALMWNJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c14-10-4-3-9(7-11(10)15)13(19)16-8-12(18)17-5-1-2-6-17/h3-4,7H,1-2,5-6,8,15H2,(H,16,19).
What are the key properties of 3-amino-4-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
3-amino-4-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 281.74 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 112687673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).