1-(4-amino-2-chlorobenzoyl)-N-methylpyrrolidine-2-carboxamide

C13H16ClN3O2 — CID 61114622

IUPAC1-(4-amino-2-chlorobenzoyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C13H16ClN3O2/c1-16-12(18)11-3-2-6-17(11)13(19)9-5-4-8(15)7-10(9)14/h4-5,7,11H,2-3,6,15H2,1H3,(H,16,18)
InChIKeyBBRIKCYJQPFEKJ-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.27
Rot. Bonds2

About 1-(4-amino-2-chlorobenzoyl)-N-methylpyrrolidine-2-carboxamide

1-(4-amino-2-chlorobenzoyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 61114622) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 1-(4-amino-2-chlorobenzoyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-amino-2-chlorobenzoyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID61114622
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name1-(4-amino-2-chlorobenzoyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C13H16ClN3O2/c1-16-12(18)11-3-2-6-17(11)13(19)9-5-4-8(15)7-10(9)14/h4-5,7,11H,2-3,6,15H2,1H3,(H,16,18)
InChIKeyBBRIKCYJQPFEKJ-UHFFFAOYSA-N
XLogP1.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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'}

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Related Compounds

1-(5-amino-2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 54978967
(4-amino-2-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 119781055
1-(5-amino-2-methylbenzoyl)-N-methylpiperidine-2-carboxamide;hydrochloride
CID 120622455
1-(4-amino-2-chlorobenzoyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119697609
1-(5-chloro-2-iodobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 113231971
1-(2-amino-4-bromobenzoyl)-N-methylpiperidine-2-carboxamide
CID 79719629
1-(2-amino-4-fluorobenzoyl)-N-methylpiperidine-2-carboxamide
CID 63110168
1-(5-amino-2-methylpyridine-3-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 54979008
1-(5-amino-2-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575372
1-(2-chloro-4-methylbenzoyl)pyrrolidine-2-carbothioamide
CID 106861306
1-(2-chlorofuran-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 106686290
4-(4-amino-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83107032

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-chlorobenzoyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-amino-2-chlorobenzoyl)-N-methylpyrrolidine-2-carboxamide (CID 61114622) is 1-(4-amino-2-chlorobenzoyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-amino-2-chlorobenzoyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-amino-2-chlorobenzoyl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 1-(4-amino-2-chlorobenzoyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is BBRIKCYJQPFEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-16-12(18)11-3-2-6-17(11)13(19)9-5-4-8(15)7-10(9)14/h4-5,7,11H,2-3,6,15H2,1H3,(H,16,18).
What are the key properties of 1-(4-amino-2-chlorobenzoyl)-N-methylpyrrolidine-2-carboxamide?
1-(4-amino-2-chlorobenzoyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 281.74 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-chlorobenzoyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 61114622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).