2-(3-aminoprop-1-ynyl)-4-fluoro-N-[1-(furan-2-yl)ethyl]benzamide

C16H15FN2O2 — CID 60821638

IUPAC2-(3-aminoprop-1-ynyl)-4-fluoro-N-[1-(furan-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(F)cc1C#CCN)c1ccco1
InChIInChI=1S/C16H15FN2O2/c1-11(15-5-3-9-21-15)19-16(20)14-7-6-13(17)10-12(14)4-2-8-18/h3,5-7,9-11H,8,18H2,1H3,(H,19,20)
InChIKeyGRPDAOURJHQMIS-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.22
Rot. Bonds3

About 2-(3-aminoprop-1-ynyl)-4-fluoro-N-[1-(furan-2-yl)ethyl]benzamide

2-(3-aminoprop-1-ynyl)-4-fluoro-N-[1-(furan-2-yl)ethyl]benzamide (PubChem CID 60821638) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-4-fluoro-N-[1-(furan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-4-fluoro-N-[1-(furan-2-yl)ethyl]benzamide
PubChem CID60821638
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name2-(3-aminoprop-1-ynyl)-4-fluoro-N-[1-(furan-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(F)cc1C#CCN)c1ccco1
InChIInChI=1S/C16H15FN2O2/c1-11(15-5-3-9-21-15)19-16(20)14-7-6-13(17)10-12(14)4-2-8-18/h3,5-7,9-11H,8,18H2,1H3,(H,19,20)
InChIKeyGRPDAOURJHQMIS-UHFFFAOYSA-N
XLogP2.22
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.22
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

2-(3-aminoprop-1-ynyl)-N-butan-2-yl-4-fluorobenzamide
CID 60821035
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(1-thiophen-3-ylethyl)benzamide
CID 62842856
2-(3-aminoprop-1-ynyl)-4-fluoro-N-[2-(furan-2-yl)ethyl]benzamide
CID 61471024
5-(3-aminoprop-1-ynyl)-N-[1-(furan-2-yl)ethyl]thiophene-3-carboxamide
CID 79696391
5-fluoro-N-[1-(furan-2-yl)ethyl]-2-nitrobenzamide
CID 60875839
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-methylsulfanylethyl)benzamide
CID 63958382
methyl 2-[[2-(3-aminoprop-1-ynyl)-4-fluorobenzoyl]amino]acetate
CID 60820642
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65480491
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(3-methylbutan-2-yl)benzamide
CID 54921677
2-(3-aminoprop-1-ynyl)-5-fluoro-N-pentan-2-ylbenzamide
CID 60821499
7-fluoro-N-[1-(furan-2-yl)ethyl]-2-methylquinoline-3-carboxamide
CID 18168498
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(3-aminoprop-1-ynyl)-4-fluorobenzamide
CID 106098217

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-4-fluoro-N-[1-(furan-2-yl)ethyl]benzamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-4-fluoro-N-[1-(furan-2-yl)ethyl]benzamide (CID 60821638) is 2-(3-aminoprop-1-ynyl)-4-fluoro-N-[1-(furan-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-4-fluoro-N-[1-(furan-2-yl)ethyl]benzamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-4-fluoro-N-[1-(furan-2-yl)ethyl]benzamide is CC(NC(=O)c1ccc(F)cc1C#CCN)c1ccco1.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-4-fluoro-N-[1-(furan-2-yl)ethyl]benzamide?
The InChIKey is GRPDAOURJHQMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-11(15-5-3-9-21-15)19-16(20)14-7-6-13(17)10-12(14)4-2-8-18/h3,5-7,9-11H,8,18H2,1H3,(H,19,20).
What are the key properties of 2-(3-aminoprop-1-ynyl)-4-fluoro-N-[1-(furan-2-yl)ethyl]benzamide?
2-(3-aminoprop-1-ynyl)-4-fluoro-N-[1-(furan-2-yl)ethyl]benzamide has a molecular weight of 286.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-ynyl)-4-fluoro-N-[1-(furan-2-yl)ethyl]benzamide is sourced from PubChem (CID 60821638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).