1-(5-amino-2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide

C13H16FN3O2 — CID 54978967

IUPAC1-(5-amino-2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)c1cc(N)ccc1F
InChIInChI=1S/C13H16FN3O2/c1-16-12(18)11-3-2-6-17(11)13(19)9-7-8(15)4-5-10(9)14/h4-5,7,11H,2-3,6,15H2,1H3,(H,16,18)
InChIKeyKDCWNXAHODCXLI-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.76
Rot. Bonds2

About 1-(5-amino-2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide

1-(5-amino-2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 54978967) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 1-(5-amino-2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-amino-2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID54978967
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name1-(5-amino-2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)c1cc(N)ccc1F
InChIInChI=1S/C13H16FN3O2/c1-16-12(18)11-3-2-6-17(11)13(19)9-7-8(15)4-5-10(9)14/h4-5,7,11H,2-3,6,15H2,1H3,(H,16,18)
InChIKeyKDCWNXAHODCXLI-UHFFFAOYSA-N
XLogP0.76
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(5-amino-2-fluorobenzoyl)-N-methylpyrrolidine-2-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-2-chlorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 61114622
1-(2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 61051030
1-(5-amino-2-methylbenzoyl)-N-methylpiperidine-2-carboxamide;hydrochloride
CID 120622455
(5-amino-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 60974941
1-(4-amino-3-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 62681861
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-chloro-2-iodobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 113231971
1-(5-amino-2-bromo-4-fluorobenzoyl)-N-methylpiperidine-2-carboxamide
CID 62815781
methyl 1-(2,5-difluorobenzoyl)pyrrolidine-2-carboxylate
CID 43410121
1-(2-amino-4-bromobenzoyl)-N-methylpiperidine-2-carboxamide
CID 79719629
1-(5-amino-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 113288544

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-amino-2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide (CID 54978967) is 1-(5-amino-2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-amino-2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-amino-2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)c1cc(N)ccc1F.
What is the InChIKey of 1-(5-amino-2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is KDCWNXAHODCXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-16-12(18)11-3-2-6-17(11)13(19)9-7-8(15)4-5-10(9)14/h4-5,7,11H,2-3,6,15H2,1H3,(H,16,18).
What are the key properties of 1-(5-amino-2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide?
1-(5-amino-2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 265.29 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 54978967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).