2-amino-N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide

C13H14FN3O — CID 79106798

IUPAC2-amino-N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide
SMILESCc1ccc(C)n1NC(=O)c1ccc(F)cc1N
InChIInChI=1S/C13H14FN3O/c1-8-3-4-9(2)17(8)16-13(18)11-6-5-10(14)7-12(11)15/h3-7H,15H2,1-2H3,(H,16,18)
InChIKeyFHQUCMPLDQENGY-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.21
Rot. Bonds2

About 2-amino-N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide

2-amino-N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide (PubChem CID 79106798) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-amino-N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide
PubChem CID79106798
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name2-amino-N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide
SMILESCc1ccc(C)n1NC(=O)c1ccc(F)cc1N
InChIInChI=1S/C13H14FN3O/c1-8-3-4-9(2)17(8)16-13(18)11-6-5-10(14)7-12(11)15/h3-7H,15H2,1-2H3,(H,16,18)
InChIKeyFHQUCMPLDQENGY-UHFFFAOYSA-N
XLogP2.21
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide 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

2-amino-4-fluoro-N-pyrrol-1-ylbenzamide
CID 79106169
2-amino-4-fluoro-N-hydroxybenzamide
CID 11593504
N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide
CID 900701
2-amino-4-fluoro-N-(2-methylphenyl)benzamide
CID 62060652
2-amino-4-fluoro-N-(4-fluorophenyl)benzamide
CID 62059687
2-amino-N-(3,5-difluorophenyl)-4-fluorobenzamide
CID 63109717
2-amino-4-fluoro-N-prop-2-ynylbenzamide
CID 62074165
5-amino-2-bromo-N-(2,5-dimethylpyrrol-1-yl)benzamide
CID 115297412
2-amino-N-(cyanomethyl)-4-fluorobenzamide
CID 63110564
2-amino-4-fluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 63109760
2-amino-4-fluoro-N-[(4-methylphenyl)methyl]benzamide
CID 62073634
2-amino-4-fluoro-N-(5-methyl-2-pyridinyl)benzamide
CID 112687750

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide?
The IUPAC name of 2-amino-N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide (CID 79106798) is 2-amino-N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide.
What is the SMILES notation for 2-amino-N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide?
The canonical SMILES for 2-amino-N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide is Cc1ccc(C)n1NC(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide?
The InChIKey is FHQUCMPLDQENGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-8-3-4-9(2)17(8)16-13(18)11-6-5-10(14)7-12(11)15/h3-7H,15H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide?
2-amino-N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide has a molecular weight of 247.27 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide is sourced from PubChem (CID 79106798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).