N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-3-carboxamide

C14H10FNO3 — CID 60803152

IUPACN-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1C#CCO)c1ccoc1
InChIInChI=1S/C14H10FNO3/c15-12-3-4-13(10(8-12)2-1-6-17)16-14(18)11-5-7-19-9-11/h3-5,7-9,17H,6H2,(H,16,18)
InChIKeyUOQTXPSCYIVJLY-UHFFFAOYSA-N
MW259.24 g/mol
LogP2.01
Rot. Bonds2

About N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-3-carboxamide

N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-3-carboxamide (PubChem CID 60803152) has the molecular formula C14H10FNO3 and a molecular weight of 259.24 g/mol. Its IUPAC name is N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-3-carboxamide
PubChem CID60803152
Molecular FormulaC14H10FNO3
Molecular Weight259.24 g/mol
Exact Mass259.06
IUPAC NameN-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1C#CCO)c1ccoc1
InChIInChI=1S/C14H10FNO3/c15-12-3-4-13(10(8-12)2-1-6-17)16-14(18)11-5-7-19-9-11/h3-5,7-9,17H,6H2,(H,16,18)
InChIKeyUOQTXPSCYIVJLY-UHFFFAOYSA-N
XLogP2.01
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 52.01
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-(2-cyano-4-fluorophenyl)furan-3-carboxamide
CID 79954360
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-5-methylfuran-3-carboxamide
CID 114822142
5-fluoro-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide
CID 104786278
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide
CID 106753851
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylpropanamide
CID 60804187
N-(2-bromo-4-fluorophenyl)furan-3-carboxamide
CID 28938638
5-fluoro-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide
CID 104639388
2-tert-butylsulfanyl-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 60804365
1-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-3-propylurea
CID 54922681
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]furan-3-carboxamide
CID 60804299
4-chloro-N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 81260265
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylsulfonylpropanamide
CID 104520912

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-3-carboxamide?
The IUPAC name of N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-3-carboxamide (CID 60803152) is N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-3-carboxamide?
The canonical SMILES for N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-3-carboxamide is O=C(Nc1ccc(F)cc1C#CCO)c1ccoc1.
What is the InChIKey of N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-3-carboxamide?
The InChIKey is UOQTXPSCYIVJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO3/c15-12-3-4-13(10(8-12)2-1-6-17)16-14(18)11-5-7-19-9-11/h3-5,7-9,17H,6H2,(H,16,18).
What are the key properties of N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-3-carboxamide?
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-3-carboxamide has a molecular weight of 259.24 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 60803152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).