5-(3-aminoprop-1-ynyl)-2-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide

C17H21FN2O — CID 107420316

IUPAC5-(3-aminoprop-1-ynyl)-2-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide
SMILESCC1CCCC1CNC(=O)c1cc(C#CCN)ccc1F
InChIInChI=1S/C17H21FN2O/c1-12-4-2-6-14(12)11-20-17(21)15-10-13(5-3-9-19)7-8-16(15)18/h7-8,10,12,14H,2,4,6,9,11,19H2,1H3,(H,20,21)
InChIKeyRFRNZJOUJJOFQA-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.30
Rot. Bonds3

About 5-(3-aminoprop-1-ynyl)-2-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide

5-(3-aminoprop-1-ynyl)-2-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide (PubChem CID 107420316) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-2-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-2-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide
PubChem CID107420316
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name5-(3-aminoprop-1-ynyl)-2-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide
SMILESCC1CCCC1CNC(=O)c1cc(C#CCN)ccc1F
InChIInChI=1S/C17H21FN2O/c1-12-4-2-6-14(12)11-20-17(21)15-10-13(5-3-9-19)7-8-16(15)18/h7-8,10,12,14H,2,4,6,9,11,19H2,1H3,(H,20,21)
InChIKeyRFRNZJOUJJOFQA-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(3-aminoprop-1-ynyl)-2-fluoro-N-[(2-methylcyclopentyl)methyl]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-(3-aminoprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107420310
2-fluoro-5-methyl-N-[(2-methylcyclohexyl)methyl]benzamide
CID 62512195
5-(3-aminoprop-1-ynyl)-N-butyl-2-fluorobenzamide
CID 60821115
4-(3-aminoprop-1-ynyl)-2-fluoro-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107414978
4,5-difluoro-2-[(2-methylcyclopentyl)methylcarbamoyl]benzoic acid
CID 107416687
4-(3-aminoprop-1-ynyl)-2-fluoro-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 106027566
5-(3-aminoprop-1-ynyl)-4-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-2-carboxamide
CID 107420312
5-fluoro-2-hydroxy-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107418921
[5-(3-aminoprop-1-ynyl)-2-fluorophenyl]-(4-methylpiperidin-1-yl)methanone
CID 60820959
N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-(3-aminoprop-1-ynyl)-2-fluorobenzamide
CID 106098212
5-(3-aminoprop-1-ynyl)-2-fluoro-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295376
2,3-difluoro-N-[(2-methylcyclohexyl)methyl]benzamide
CID 62660422

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-2-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-2-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide (CID 107420316) is 5-(3-aminoprop-1-ynyl)-2-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-2-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-2-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide is CC1CCCC1CNC(=O)c1cc(C#CCN)ccc1F.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-2-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide?
The InChIKey is RFRNZJOUJJOFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-12-4-2-6-14(12)11-20-17(21)15-10-13(5-3-9-19)7-8-16(15)18/h7-8,10,12,14H,2,4,6,9,11,19H2,1H3,(H,20,21).
What are the key properties of 5-(3-aminoprop-1-ynyl)-2-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide?
5-(3-aminoprop-1-ynyl)-2-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide has a molecular weight of 288.37 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-2-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide is sourced from PubChem (CID 107420316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).