5-amino-2-fluoro-3-methyl-N-pentylbenzamide

C13H19FN2O — CID 103295782

IUPAC5-amino-2-fluoro-3-methyl-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cc(N)cc(C)c1F
InChIInChI=1S/C13H19FN2O/c1-3-4-5-6-16-13(17)11-8-10(15)7-9(2)12(11)14/h7-8H,3-6,15H2,1-2H3,(H,16,17)
InChIKeyHETXHEYDQWINIQ-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.64
Rot. Bonds5

About 5-amino-2-fluoro-3-methyl-N-pentylbenzamide

5-amino-2-fluoro-3-methyl-N-pentylbenzamide (PubChem CID 103295782) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 5-amino-2-fluoro-3-methyl-N-pentylbenzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-3-methyl-N-pentylbenzamide
PubChem CID103295782
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name5-amino-2-fluoro-3-methyl-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cc(N)cc(C)c1F
InChIInChI=1S/C13H19FN2O/c1-3-4-5-6-16-13(17)11-8-10(15)7-9(2)12(11)14/h7-8H,3-6,15H2,1-2H3,(H,16,17)
InChIKeyHETXHEYDQWINIQ-UHFFFAOYSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-amino-2-fluoro-3-methyl-N-pentylbenzamide 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

5-amino-N-(2,2-dimethylheptyl)-2-fluoro-3-methylbenzamide
CID 103296661
4-fluoro-3-methyl-5-(pentylcarbamoyl)benzenesulfonyl chloride
CID 81478950
ethyl 3-[(5-amino-2-fluoro-3-methylbenzoyl)amino]propanoate
CID 103296353
tert-butyl N-[3-[(5-amino-2-fluoro-3-methylbenzoyl)amino]propyl]carbamate
CID 103296906
5-amino-N-but-3-enyl-2-fluoro-3-methylbenzamide
CID 103296822
N-decyl-2-fluoro-3-methylbenzamide
CID 81479719
5-amino-2-fluoro-N-hexylbenzamide
CID 61113619
5-amino-N-[2-(azepan-1-yl)ethyl]-2-fluoro-3-methylbenzamide
CID 103296218
5-amino-N-(2,3-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 103296542
5-amino-N-(2-cyclopentyloxyethyl)-2-fluoro-3-methylbenzamide
CID 103296491
3-amino-N-butyl-2,5-difluorobenzamide
CID 107120407
5-amino-N-hexyl-2,4-dimethylbenzamide
CID 102705178

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-3-methyl-N-pentylbenzamide?
The IUPAC name of 5-amino-2-fluoro-3-methyl-N-pentylbenzamide (CID 103295782) is 5-amino-2-fluoro-3-methyl-N-pentylbenzamide.
What is the SMILES notation for 5-amino-2-fluoro-3-methyl-N-pentylbenzamide?
The canonical SMILES for 5-amino-2-fluoro-3-methyl-N-pentylbenzamide is CCCCCNC(=O)c1cc(N)cc(C)c1F.
What is the InChIKey of 5-amino-2-fluoro-3-methyl-N-pentylbenzamide?
The InChIKey is HETXHEYDQWINIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-3-4-5-6-16-13(17)11-8-10(15)7-9(2)12(11)14/h7-8H,3-6,15H2,1-2H3,(H,16,17).
What are the key properties of 5-amino-2-fluoro-3-methyl-N-pentylbenzamide?
5-amino-2-fluoro-3-methyl-N-pentylbenzamide has a molecular weight of 238.31 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-3-methyl-N-pentylbenzamide is sourced from PubChem (CID 103295782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).