N-[3-(2-fluorophenyl)prop-2-ynyl]-6-oxopyran-3-carboxamide

C15H10FNO3 — CID 90547962

IUPACN-[3-(2-fluorophenyl)prop-2-ynyl]-6-oxopyran-3-carboxamide
SMILESO=C(NCC#Cc1ccccc1F)c1ccc(=O)oc1
InChIInChI=1S/C15H10FNO3/c16-13-6-2-1-4-11(13)5-3-9-17-15(19)12-7-8-14(18)20-10-12/h1-2,4,6-8,10H,9H2,(H,17,19)
InChIKeyRPDKBTITWLYYFY-UHFFFAOYSA-N
MW271.25 g/mol
LogP1.56
Rot. Bonds2

About N-[3-(2-fluorophenyl)prop-2-ynyl]-6-oxopyran-3-carboxamide

N-[3-(2-fluorophenyl)prop-2-ynyl]-6-oxopyran-3-carboxamide (PubChem CID 90547962) has the molecular formula C15H10FNO3 and a molecular weight of 271.25 g/mol. Its IUPAC name is N-[3-(2-fluorophenyl)prop-2-ynyl]-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-fluorophenyl)prop-2-ynyl]-6-oxopyran-3-carboxamide
PubChem CID90547962
Molecular FormulaC15H10FNO3
Molecular Weight271.25 g/mol
Exact Mass271.06
IUPAC NameN-[3-(2-fluorophenyl)prop-2-ynyl]-6-oxopyran-3-carboxamide
SMILESO=C(NCC#Cc1ccccc1F)c1ccc(=O)oc1
InChIInChI=1S/C15H10FNO3/c16-13-6-2-1-4-11(13)5-3-9-17-15(19)12-7-8-14(18)20-10-12/h1-2,4,6-8,10H,9H2,(H,17,19)
InChIKeyRPDKBTITWLYYFY-UHFFFAOYSA-N
XLogP1.56
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-[3-(2-fluorophenyl)prop-2-ynyl]benzamide
CID 90547842
N-[3-(2-fluorophenyl)prop-2-ynyl]-2-iodobenzamide
CID 90547862
4-chloro-N-[3-(2-fluorophenyl)prop-2-ynyl]-3-nitrobenzamide
CID 90547877
N-[3-(2-fluorophenyl)prop-2-ynyl]-2-methylsulfanylbenzamide
CID 90547949
N-[3-(2-fluorophenyl)prop-2-ynyl]-2-methoxyacetamide
CID 90547821
N-(2-methoxyethyl)-6-oxopyran-3-carboxamide
CID 110697442
1-(2,6-difluorophenyl)-3-[3-(2-fluorophenyl)prop-2-ynyl]urea
CID 90552580
N-[3-(2-fluorophenyl)prop-2-ynyl]-2-(4-phenylphenyl)acetamide
CID 90547954
1-benzyl-3-[3-(2-fluorophenyl)prop-2-ynyl]urea
CID 90552583
3-(4-fluorophenyl)-N-[3-(2-fluorophenyl)prop-2-ynyl]-1H-pyrazole-5-carboxamide
CID 90547769
3,4-difluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
CID 90549224
2-methyl-3-[(6-oxopyran-3-carbonyl)amino]propanoic acid
CID 62675301

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenyl)prop-2-ynyl]-6-oxopyran-3-carboxamide?
The IUPAC name of N-[3-(2-fluorophenyl)prop-2-ynyl]-6-oxopyran-3-carboxamide (CID 90547962) is N-[3-(2-fluorophenyl)prop-2-ynyl]-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-[3-(2-fluorophenyl)prop-2-ynyl]-6-oxopyran-3-carboxamide?
The canonical SMILES for N-[3-(2-fluorophenyl)prop-2-ynyl]-6-oxopyran-3-carboxamide is O=C(NCC#Cc1ccccc1F)c1ccc(=O)oc1.
What is the InChIKey of N-[3-(2-fluorophenyl)prop-2-ynyl]-6-oxopyran-3-carboxamide?
The InChIKey is RPDKBTITWLYYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO3/c16-13-6-2-1-4-11(13)5-3-9-17-15(19)12-7-8-14(18)20-10-12/h1-2,4,6-8,10H,9H2,(H,17,19).
What are the key properties of N-[3-(2-fluorophenyl)prop-2-ynyl]-6-oxopyran-3-carboxamide?
N-[3-(2-fluorophenyl)prop-2-ynyl]-6-oxopyran-3-carboxamide has a molecular weight of 271.25 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenyl)prop-2-ynyl]-6-oxopyran-3-carboxamide is sourced from PubChem (CID 90547962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).