N-[1-(4-fluorophenyl)-2-(4-methoxyanilino)-2-oxoethyl]-N-phenylfuran-2-carboxamide

C26H21FN2O4 — CID 46263119

IUPACN-[1-(4-fluorophenyl)-2-(4-methoxyanilino)-2-oxoethyl]-N-phenylfuran-2-carboxamide
SMILESCOc1ccc(NC(=O)C(c2ccc(F)cc2)N(C(=O)c2ccco2)c2ccccc2)cc1
InChIInChI=1S/C26H21FN2O4/c1-32-22-15-13-20(14-16-22)28-25(30)24(18-9-11-19(27)12-10-18)29(21-6-3-2-4-7-21)26(31)23-8-5-17-33-23/h2-17,24H,1H3,(H,28,30)
InChIKeyJKHGNGWEVDMHEO-UHFFFAOYSA-N
MW444.46 g/mol
LogP5.45
Rot. Bonds7

About N-[1-(4-fluorophenyl)-2-(4-methoxyanilino)-2-oxoethyl]-N-phenylfuran-2-carboxamide

N-[1-(4-fluorophenyl)-2-(4-methoxyanilino)-2-oxoethyl]-N-phenylfuran-2-carboxamide (PubChem CID 46263119) has the molecular formula C26H21FN2O4 and a molecular weight of 444.46 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-(4-methoxyanilino)-2-oxoethyl]-N-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-(4-methoxyanilino)-2-oxoethyl]-N-phenylfuran-2-carboxamide
PubChem CID46263119
Molecular FormulaC26H21FN2O4
Molecular Weight444.46 g/mol
Exact Mass444.15
IUPAC NameN-[1-(4-fluorophenyl)-2-(4-methoxyanilino)-2-oxoethyl]-N-phenylfuran-2-carboxamide
SMILESCOc1ccc(NC(=O)C(c2ccc(F)cc2)N(C(=O)c2ccco2)c2ccccc2)cc1
InChIInChI=1S/C26H21FN2O4/c1-32-22-15-13-20(14-16-22)28-25(30)24(18-9-11-19(27)12-10-18)29(21-6-3-2-4-7-21)26(31)23-8-5-17-33-23/h2-17,24H,1H3,(H,28,30)
InChIKeyJKHGNGWEVDMHEO-UHFFFAOYSA-N
XLogP5.45
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.46
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 1441771
N-[2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-phenylpyrazine-2-carboxamide
CID 3202116
N-[2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 3202114
N-[(1S)-2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 1434704
N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide
CID 3196936
N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2-fluorophenyl)furan-2-carboxamide
CID 3196910
(2S)-N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methoxyphenyl)acetamide
CID 2716521
(Z)-N'-[(1R)-1-(4-fluorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-N'-(4-propan-2-ylphenyl)but-2-enediamide
CID 93472964
N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide
CID 1441767
N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)furan-2-carboxamide
CID 3196908
N-[(1S)-2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 1469280
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 7145162

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-(4-methoxyanilino)-2-oxoethyl]-N-phenylfuran-2-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-(4-methoxyanilino)-2-oxoethyl]-N-phenylfuran-2-carboxamide (CID 46263119) is N-[1-(4-fluorophenyl)-2-(4-methoxyanilino)-2-oxoethyl]-N-phenylfuran-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-(4-methoxyanilino)-2-oxoethyl]-N-phenylfuran-2-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-(4-methoxyanilino)-2-oxoethyl]-N-phenylfuran-2-carboxamide is COc1ccc(NC(=O)C(c2ccc(F)cc2)N(C(=O)c2ccco2)c2ccccc2)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-(4-methoxyanilino)-2-oxoethyl]-N-phenylfuran-2-carboxamide?
The InChIKey is JKHGNGWEVDMHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O4/c1-32-22-15-13-20(14-16-22)28-25(30)24(18-9-11-19(27)12-10-18)29(21-6-3-2-4-7-21)26(31)23-8-5-17-33-23/h2-17,24H,1H3,(H,28,30).
What are the key properties of N-[1-(4-fluorophenyl)-2-(4-methoxyanilino)-2-oxoethyl]-N-phenylfuran-2-carboxamide?
N-[1-(4-fluorophenyl)-2-(4-methoxyanilino)-2-oxoethyl]-N-phenylfuran-2-carboxamide has a molecular weight of 444.46 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-(4-methoxyanilino)-2-oxoethyl]-N-phenylfuran-2-carboxamide is sourced from PubChem (CID 46263119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).