2-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-5-fluorobenzamide

C16H19FN2O — CID 60822341

IUPAC2-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-5-fluorobenzamide
SMILESNCC#Cc1ccc(F)cc1C(=O)NCC1CCCC1
InChIInChI=1S/C16H19FN2O/c17-14-8-7-13(6-3-9-18)15(10-14)16(20)19-11-12-4-1-2-5-12/h7-8,10,12H,1-2,4-5,9,11,18H2,(H,19,20)
InChIKeyLNHYJKVNACGGSR-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.06
Rot. Bonds3

About 2-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-5-fluorobenzamide

2-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-5-fluorobenzamide (PubChem CID 60822341) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-5-fluorobenzamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-5-fluorobenzamide
PubChem CID60822341
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name2-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-5-fluorobenzamide
SMILESNCC#Cc1ccc(F)cc1C(=O)NCC1CCCC1
InChIInChI=1S/C16H19FN2O/c17-14-8-7-13(6-3-9-18)15(10-14)16(20)19-11-12-4-1-2-5-12/h7-8,10,12H,1-2,4-5,9,11,18H2,(H,19,20)
InChIKeyLNHYJKVNACGGSR-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(cyclohexylmethyl)-5-fluorobenzamide
CID 43371580
2-(3-aminoprop-1-ynyl)-N-[2-(carbamoylamino)ethyl]-5-fluorobenzamide
CID 83114793
2-(3-aminoprop-1-ynyl)-N-cyclopentyl-5-fluoro-N-methylbenzamide
CID 60822254
2-[[2-(3-aminoprop-1-ynyl)-5-fluorobenzoyl]amino]ethyl carbamate
CID 83203785
2-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclopentyl)-5-fluorobenzamide
CID 79871456
2-(3-aminoprop-1-ynyl)-5-fluoro-N-piperidin-1-ylbenzamide
CID 83022965
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(3-aminoprop-1-ynyl)-5-fluorobenzamide
CID 106240734
2-(3-aminoprop-1-ynyl)-5-fluoro-N-(1-methylcyclopentyl)benzamide
CID 64688471
2-(3-aminoprop-1-ynyl)-5-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 60822004
2-(3-aminoprop-1-ynyl)-5-fluoro-N-(thiolan-3-yl)benzamide
CID 103064470
2-(3-aminoprop-1-ynyl)-5-fluoro-N-(1-methoxypropan-2-yl)benzamide
CID 54922265
2-(3-aminoprop-1-ynyl)-5-fluoro-N-pentan-2-ylbenzamide
CID 60821499

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-5-fluorobenzamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-5-fluorobenzamide (CID 60822341) is 2-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-5-fluorobenzamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-5-fluorobenzamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-5-fluorobenzamide is NCC#Cc1ccc(F)cc1C(=O)NCC1CCCC1.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-5-fluorobenzamide?
The InChIKey is LNHYJKVNACGGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c17-14-8-7-13(6-3-9-18)15(10-14)16(20)19-11-12-4-1-2-5-12/h7-8,10,12H,1-2,4-5,9,11,18H2,(H,19,20).
What are the key properties of 2-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-5-fluorobenzamide?
2-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-5-fluorobenzamide has a molecular weight of 274.34 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-5-fluorobenzamide is sourced from PubChem (CID 60822341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).