N,1-bis[(4-chlorophenyl)methyl]-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide

C27H19Cl2FN2O4 — CID 2377732

IUPACN,1-bis[(4-chlorophenyl)methyl]-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide
SMILESO=C(c1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)n(Cc2ccc(Cl)cc2)c1)c1cc(F)ccc1O
InChIInChI=1S/C27H19Cl2FN2O4/c28-19-5-1-16(2-6-19)13-31-26(35)23-11-18(25(34)22-12-21(30)9-10-24(22)33)15-32(27(23)36)14-17-3-7-20(29)8-4-17/h1-12,15,33H,13-14H2,(H,31,35)
InChIKeyQQBYHDMOTOEOJI-UHFFFAOYSA-N
MW525.36 g/mol
LogP5.21
Rot. Bonds7

About N,1-bis[(4-chlorophenyl)methyl]-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide

N,1-bis[(4-chlorophenyl)methyl]-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide (PubChem CID 2377732) has the molecular formula C27H19Cl2FN2O4 and a molecular weight of 525.36 g/mol. Its IUPAC name is N,1-bis[(4-chlorophenyl)methyl]-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN,1-bis[(4-chlorophenyl)methyl]-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide
PubChem CID2377732
Molecular FormulaC27H19Cl2FN2O4
Molecular Weight525.36 g/mol
Exact Mass524.07
IUPAC NameN,1-bis[(4-chlorophenyl)methyl]-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide
SMILESO=C(c1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)n(Cc2ccc(Cl)cc2)c1)c1cc(F)ccc1O
InChIInChI=1S/C27H19Cl2FN2O4/c28-19-5-1-16(2-6-19)13-31-26(35)23-11-18(25(34)22-12-21(30)9-10-24(22)33)15-32(27(23)36)14-17-3-7-20(29)8-4-17/h1-12,15,33H,13-14H2,(H,31,35)
InChIKeyQQBYHDMOTOEOJI-UHFFFAOYSA-N
XLogP5.21
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.36
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1-bis[(4-chlorophenyl)methyl]-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N,1-bis[(4-chlorophenyl)methyl]-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide (CID 2377732) is N,1-bis[(4-chlorophenyl)methyl]-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N,1-bis[(4-chlorophenyl)methyl]-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N,1-bis[(4-chlorophenyl)methyl]-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide is O=C(c1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)n(Cc2ccc(Cl)cc2)c1)c1cc(F)ccc1O.
What is the InChIKey of N,1-bis[(4-chlorophenyl)methyl]-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide?
The InChIKey is QQBYHDMOTOEOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19Cl2FN2O4/c28-19-5-1-16(2-6-19)13-31-26(35)23-11-18(25(34)22-12-21(30)9-10-24(22)33)15-32(27(23)36)14-17-3-7-20(29)8-4-17/h1-12,15,33H,13-14H2,(H,31,35).
What are the key properties of N,1-bis[(4-chlorophenyl)methyl]-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide?
N,1-bis[(4-chlorophenyl)methyl]-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide has a molecular weight of 525.36 g/mol, XLogP of 5.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis[(4-chlorophenyl)methyl]-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 2377732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).