2-(3-aminoprop-1-ynyl)-N-cyclopentyl-5-fluoro-N-methylbenzamide

C16H19FN2O — CID 60822254

IUPAC2-(3-aminoprop-1-ynyl)-N-cyclopentyl-5-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1cc(F)ccc1C#CCN)C1CCCC1
InChIInChI=1S/C16H19FN2O/c1-19(14-6-2-3-7-14)16(20)15-11-13(17)9-8-12(15)5-4-10-18/h8-9,11,14H,2-3,6-7,10,18H2,1H3
InChIKeyIMENILPSMKQEBJ-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.15
Rot. Bonds2

About 2-(3-aminoprop-1-ynyl)-N-cyclopentyl-5-fluoro-N-methylbenzamide

2-(3-aminoprop-1-ynyl)-N-cyclopentyl-5-fluoro-N-methylbenzamide (PubChem CID 60822254) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-N-cyclopentyl-5-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-N-cyclopentyl-5-fluoro-N-methylbenzamide
PubChem CID60822254
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name2-(3-aminoprop-1-ynyl)-N-cyclopentyl-5-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1cc(F)ccc1C#CCN)C1CCCC1
InChIInChI=1S/C16H19FN2O/c1-19(14-6-2-3-7-14)16(20)15-11-13(17)9-8-12(15)5-4-10-18/h8-9,11,14H,2-3,6-7,10,18H2,1H3
InChIKeyIMENILPSMKQEBJ-UHFFFAOYSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylbenzamide
CID 60821770
2-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-5-fluorobenzamide
CID 60822341
N-cyclopentyl-2-(3-hydroxyprop-1-ynyl)-N,5-dimethylbenzamide
CID 81111346
3-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylpyridine-4-carboxamide
CID 66482895
2-(3-aminoprop-1-ynyl)-5-fluoro-N-(2-methoxyethyl)-N-methylbenzamide
CID 61428101
2-(3-aminoprop-1-ynyl)-5-fluoro-N,N-bis(2-hydroxyethyl)benzamide
CID 61234146
[2-(3-aminoprop-1-ynyl)-5-fluorophenyl]-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79181103
2-(3-aminoprop-1-ynyl)-N,5-dimethyl-N-(oxolan-3-yl)benzamide
CID 82748685
2-amino-N-cyclohexyl-4-fluoro-N-methylbenzamide
CID 62072600
2-(3-aminoprop-1-ynyl)-5-fluoro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 61425947
N-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide
CID 60820831
2-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclopentyl)-5-fluorobenzamide
CID 79871456

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-N-cyclopentyl-5-fluoro-N-methylbenzamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-N-cyclopentyl-5-fluoro-N-methylbenzamide (CID 60822254) is 2-(3-aminoprop-1-ynyl)-N-cyclopentyl-5-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-N-cyclopentyl-5-fluoro-N-methylbenzamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-N-cyclopentyl-5-fluoro-N-methylbenzamide is CN(C(=O)c1cc(F)ccc1C#CCN)C1CCCC1.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-N-cyclopentyl-5-fluoro-N-methylbenzamide?
The InChIKey is IMENILPSMKQEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-19(14-6-2-3-7-14)16(20)15-11-13(17)9-8-12(15)5-4-10-18/h8-9,11,14H,2-3,6-7,10,18H2,1H3.
What are the key properties of 2-(3-aminoprop-1-ynyl)-N-cyclopentyl-5-fluoro-N-methylbenzamide?
2-(3-aminoprop-1-ynyl)-N-cyclopentyl-5-fluoro-N-methylbenzamide has a molecular weight of 274.34 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-ynyl)-N-cyclopentyl-5-fluoro-N-methylbenzamide is sourced from PubChem (CID 60822254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).