N-(3,4-difluorophenyl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide

C19H12F3NO4 — CID 42227244

IUPACN-(3,4-difluorophenyl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc(=O)c(OCc2ccc(F)cc2)co1
InChIInChI=1S/C19H12F3NO4/c20-12-3-1-11(2-4-12)9-26-18-10-27-17(8-16(18)24)19(25)23-13-5-6-14(21)15(22)7-13/h1-8,10H,9H2,(H,23,25)
InChIKeyCZUOVOPLIVWVBA-UHFFFAOYSA-N
MW375.30 g/mol
LogP3.89
Rot. Bonds5

About N-(3,4-difluorophenyl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide

N-(3,4-difluorophenyl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide (PubChem CID 42227244) has the molecular formula C19H12F3NO4 and a molecular weight of 375.30 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide
PubChem CID42227244
Molecular FormulaC19H12F3NO4
Molecular Weight375.30 g/mol
Exact Mass375.07
IUPAC NameN-(3,4-difluorophenyl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc(=O)c(OCc2ccc(F)cc2)co1
InChIInChI=1S/C19H12F3NO4/c20-12-3-1-11(2-4-12)9-26-18-10-27-17(8-16(18)24)19(25)23-13-5-6-14(21)15(22)7-13/h1-8,10H,9H2,(H,23,25)
InChIKeyCZUOVOPLIVWVBA-UHFFFAOYSA-N
XLogP3.89
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide (CID 42227244) is N-(3,4-difluorophenyl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1cc(=O)c(OCc2ccc(F)cc2)co1.
What is the InChIKey of N-(3,4-difluorophenyl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide?
The InChIKey is CZUOVOPLIVWVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3NO4/c20-12-3-1-11(2-4-12)9-26-18-10-27-17(8-16(18)24)19(25)23-13-5-6-14(21)15(22)7-13/h1-8,10H,9H2,(H,23,25).
What are the key properties of N-(3,4-difluorophenyl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide?
N-(3,4-difluorophenyl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide has a molecular weight of 375.30 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide is sourced from PubChem (CID 42227244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).