N-[(3,4-dichlorophenyl)methyl]-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxamide

C21H14Cl2F4N2O3 — CID 87273413

IUPACN-[(3,4-dichlorophenyl)methyl]-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(c1c[nH]c(=O)cc1O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C21H14Cl2F4N2O3/c22-15-4-1-11(5-16(15)23)9-29(20(32)14-8-28-19(31)7-18(14)30)10-12-2-3-13(6-17(12)24)21(25,26)27/h1-8H,9-10H2,(H2,28,30,31)
InChIKeyBCFRYQUZPXCMRK-UHFFFAOYSA-N
MW489.25 g/mol
LogP5.39
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methyl]-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxamide

N-[(3,4-dichlorophenyl)methyl]-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 87273413) has the molecular formula C21H14Cl2F4N2O3 and a molecular weight of 489.25 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxamide
PubChem CID87273413
Molecular FormulaC21H14Cl2F4N2O3
Molecular Weight489.25 g/mol
Exact Mass488.03
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(c1c[nH]c(=O)cc1O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C21H14Cl2F4N2O3/c22-15-4-1-11(5-16(15)23)9-29(20(32)14-8-28-19(31)7-18(14)30)10-12-2-3-13(6-17(12)24)21(25,26)27/h1-8H,9-10H2,(H2,28,30,31)
InChIKeyBCFRYQUZPXCMRK-UHFFFAOYSA-N
XLogP5.39
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.25
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxamide (CID 87273413) is N-[(3,4-dichlorophenyl)methyl]-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxamide is O=C(c1c[nH]c(=O)cc1O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccc(C(F)(F)F)cc1F.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is BCFRYQUZPXCMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2F4N2O3/c22-15-4-1-11(5-16(15)23)9-29(20(32)14-8-28-19(31)7-18(14)30)10-12-2-3-13(6-17(12)24)21(25,26)27/h1-8H,9-10H2,(H2,28,30,31).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 489.25 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 87273413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).