6-(4-fluorophenyl)-N-methyl-4-oxo-2-phenylpyran-3-carboxamide

C19H14FNO3 — CID 22750630

IUPAC6-(4-fluorophenyl)-N-methyl-4-oxo-2-phenylpyran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccccc2)oc(-c2ccc(F)cc2)cc1=O
InChIInChI=1S/C19H14FNO3/c1-21-19(23)17-15(22)11-16(12-7-9-14(20)10-8-12)24-18(17)13-5-3-2-4-6-13/h2-11H,1H3,(H,21,23)
InChIKeyLBHRWTFCFJZFIT-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.47
Rot. Bonds3

About 6-(4-fluorophenyl)-N-methyl-4-oxo-2-phenylpyran-3-carboxamide

6-(4-fluorophenyl)-N-methyl-4-oxo-2-phenylpyran-3-carboxamide (PubChem CID 22750630) has the molecular formula C19H14FNO3 and a molecular weight of 323.32 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-methyl-4-oxo-2-phenylpyran-3-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-methyl-4-oxo-2-phenylpyran-3-carboxamide
PubChem CID22750630
Molecular FormulaC19H14FNO3
Molecular Weight323.32 g/mol
Exact Mass323.10
IUPAC Name6-(4-fluorophenyl)-N-methyl-4-oxo-2-phenylpyran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccccc2)oc(-c2ccc(F)cc2)cc1=O
InChIInChI=1S/C19H14FNO3/c1-21-19(23)17-15(22)11-16(12-7-9-14(20)10-8-12)24-18(17)13-5-3-2-4-6-13/h2-11H,1H3,(H,21,23)
InChIKeyLBHRWTFCFJZFIT-UHFFFAOYSA-N
XLogP3.47
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-methyl-4-oxo-6-phenylpyran-3-carboxamide
CID 22750632
4,5-di(ethylidene)-2-(4-fluorophenyl)-N-methylfuran-3-carboxamide
CID 123309644
5-(4-fluorophenyl)-2-phenylfuran-3-carbaldehyde
CID 132533984
N-(4-oxo-2,6-diphenylpyran-3-yl)benzamide
CID 981585
2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 67452827
5-(3-carbamoylphenyl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 59275770
6-(5-ethyl-4-methyl-2-oxo-1,3-oxazolidin-3-yl)-2-(4-fluorophenyl)-N-methyl-5-phenyl-1-benzofuran-3-carboxamide
CID 123725382
2-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid
CID 59275666
5-acetyl-2-(4-fluorophenyl)-N,6-dimethyl-1-benzofuran-3-carboxamide
CID 70800629
ethane;2-(4-fluorophenyl)-N,4,5-trimethyl-1-benzofuran-3-carboxamide
CID 145056932
[2-(4-fluorophenyl)-6-(methylamino)-3-(methylcarbamoyl)-1-benzofuran-5-yl]boronic acid
CID 144679662
N,5-dimethyl-2-phenyl-1-benzofuran-3-carboxamide
CID 10333083

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-methyl-4-oxo-2-phenylpyran-3-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N-methyl-4-oxo-2-phenylpyran-3-carboxamide (CID 22750630) is 6-(4-fluorophenyl)-N-methyl-4-oxo-2-phenylpyran-3-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N-methyl-4-oxo-2-phenylpyran-3-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N-methyl-4-oxo-2-phenylpyran-3-carboxamide is CNC(=O)c1c(-c2ccccc2)oc(-c2ccc(F)cc2)cc1=O.
What is the InChIKey of 6-(4-fluorophenyl)-N-methyl-4-oxo-2-phenylpyran-3-carboxamide?
The InChIKey is LBHRWTFCFJZFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO3/c1-21-19(23)17-15(22)11-16(12-7-9-14(20)10-8-12)24-18(17)13-5-3-2-4-6-13/h2-11H,1H3,(H,21,23).
What are the key properties of 6-(4-fluorophenyl)-N-methyl-4-oxo-2-phenylpyran-3-carboxamide?
6-(4-fluorophenyl)-N-methyl-4-oxo-2-phenylpyran-3-carboxamide has a molecular weight of 323.32 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-methyl-4-oxo-2-phenylpyran-3-carboxamide is sourced from PubChem (CID 22750630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).