N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-6-oxopyran-3-carboxamide

C15H10FNO4 — CID 60802943

IUPACN-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-6-oxopyran-3-carboxamide
SMILESO=C(Nc1ccc(C#CCO)cc1F)c1ccc(=O)oc1
InChIInChI=1S/C15H10FNO4/c16-12-8-10(2-1-7-18)3-5-13(12)17-15(20)11-4-6-14(19)21-9-11/h3-6,8-9,18H,7H2,(H,17,20)
InChIKeyWFUBCRJTWWYPEN-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.38
Rot. Bonds2

About N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-6-oxopyran-3-carboxamide

N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-6-oxopyran-3-carboxamide (PubChem CID 60802943) has the molecular formula C15H10FNO4 and a molecular weight of 287.25 g/mol. Its IUPAC name is N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-6-oxopyran-3-carboxamide
PubChem CID60802943
Molecular FormulaC15H10FNO4
Molecular Weight287.25 g/mol
Exact Mass287.06
IUPAC NameN-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-6-oxopyran-3-carboxamide
SMILESO=C(Nc1ccc(C#CCO)cc1F)c1ccc(=O)oc1
InChIInChI=1S/C15H10FNO4/c16-12-8-10(2-1-7-18)3-5-13(12)17-15(20)11-4-6-14(19)21-9-11/h3-6,8-9,18H,7H2,(H,17,20)
InChIKeyWFUBCRJTWWYPEN-UHFFFAOYSA-N
XLogP1.38
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylbenzamide
CID 60804157
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-6-methylpyridine-3-carboxamide
CID 60805057
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 60802778
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]furan-3-carboxamide
CID 60804299
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]cyclopropanecarboxamide
CID 60803979
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-phenylacetamide
CID 60802437
2-acetamido-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 54922713
4-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60804356
3-hydroxy-4-[(6-oxopyran-3-carbonyl)amino]benzoic acid
CID 60827184
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65160649
3-chloro-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylthiophene-2-carboxamide
CID 103404080
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]octanamide
CID 60802780

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-6-oxopyran-3-carboxamide?
The IUPAC name of N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-6-oxopyran-3-carboxamide (CID 60802943) is N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-6-oxopyran-3-carboxamide?
The canonical SMILES for N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-6-oxopyran-3-carboxamide is O=C(Nc1ccc(C#CCO)cc1F)c1ccc(=O)oc1.
What is the InChIKey of N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-6-oxopyran-3-carboxamide?
The InChIKey is WFUBCRJTWWYPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO4/c16-12-8-10(2-1-7-18)3-5-13(12)17-15(20)11-4-6-14(19)21-9-11/h3-6,8-9,18H,7H2,(H,17,20).
What are the key properties of N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-6-oxopyran-3-carboxamide?
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-6-oxopyran-3-carboxamide has a molecular weight of 287.25 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-6-oxopyran-3-carboxamide is sourced from PubChem (CID 60802943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).