N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]oxane-4-carboxamide

C15H17FN2O2 — CID 65438048

IUPACN-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]oxane-4-carboxamide
SMILESNCC#Cc1ccc(NC(=O)C2CCOCC2)cc1F
InChIInChI=1S/C15H17FN2O2/c16-14-10-13(4-3-11(14)2-1-7-17)18-15(19)12-5-8-20-9-6-12/h3-4,10,12H,5-9,17H2,(H,18,19)
InChIKeyFKPVSVVTINZTQE-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.50
Rot. Bonds2

About N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]oxane-4-carboxamide

N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]oxane-4-carboxamide (PubChem CID 65438048) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]oxane-4-carboxamide
PubChem CID65438048
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC NameN-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]oxane-4-carboxamide
SMILESNCC#Cc1ccc(NC(=O)C2CCOCC2)cc1F
InChIInChI=1S/C15H17FN2O2/c16-14-10-13(4-3-11(14)2-1-7-17)18-15(19)12-5-8-20-9-6-12/h3-4,10,12H,5-9,17H2,(H,18,19)
InChIKeyFKPVSVVTINZTQE-UHFFFAOYSA-N
XLogP1.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]morpholine-4-carboxamide
CID 79153035
N-(3,4-difluorophenyl)oxane-4-carboxamide
CID 31963323
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]oxane-3-carboxamide
CID 104780879
N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]oxane-4-carboxamide
CID 107578525
N-(3-bromo-4-fluorophenyl)oxane-4-carboxamide
CID 115661522
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-1,2-oxazole-3-carboxamide
CID 65435499
1-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-3-(oxolan-3-yl)urea
CID 104781003
2-fluoro-4-(oxane-4-carbonylamino)benzenesulfonyl chloride
CID 62906523
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-hydroxybenzamide
CID 65436068
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-methylpyrazine-2-carboxamide
CID 65436071
N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]oxolane-3-carboxamide
CID 81271078
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]oxane-4-carboxamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]oxane-4-carboxamide (CID 65438048) is N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]oxane-4-carboxamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]oxane-4-carboxamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]oxane-4-carboxamide is NCC#Cc1ccc(NC(=O)C2CCOCC2)cc1F.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]oxane-4-carboxamide?
The InChIKey is FKPVSVVTINZTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c16-14-10-13(4-3-11(14)2-1-7-17)18-15(19)12-5-8-20-9-6-12/h3-4,10,12H,5-9,17H2,(H,18,19).
What are the key properties of N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]oxane-4-carboxamide?
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]oxane-4-carboxamide has a molecular weight of 276.31 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]oxane-4-carboxamide is sourced from PubChem (CID 65438048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).