5-(5-chloro-2-hydroxybenzoyl)-N,1-bis(4-fluorophenyl)-2-oxopyridine-3-carboxamide

C25H15ClF2N2O4 — CID 2368904

IUPAC5-(5-chloro-2-hydroxybenzoyl)-N,1-bis(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESO=C(c1cc(C(=O)Nc2ccc(F)cc2)c(=O)n(-c2ccc(F)cc2)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C25H15ClF2N2O4/c26-15-1-10-22(31)20(12-15)23(32)14-11-21(24(33)29-18-6-2-16(27)3-7-18)25(34)30(13-14)19-8-4-17(28)5-9-19/h1-13,31H,(H,29,33)
InChIKeyKTDHEMUQUAXXRQ-UHFFFAOYSA-N
MW480.85 g/mol
LogP4.96
Rot. Bonds5

About 5-(5-chloro-2-hydroxybenzoyl)-N,1-bis(4-fluorophenyl)-2-oxopyridine-3-carboxamide

5-(5-chloro-2-hydroxybenzoyl)-N,1-bis(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 2368904) has the molecular formula C25H15ClF2N2O4 and a molecular weight of 480.85 g/mol. Its IUPAC name is 5-(5-chloro-2-hydroxybenzoyl)-N,1-bis(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2-hydroxybenzoyl)-N,1-bis(4-fluorophenyl)-2-oxopyridine-3-carboxamide
PubChem CID2368904
Molecular FormulaC25H15ClF2N2O4
Molecular Weight480.85 g/mol
Exact Mass480.07
IUPAC Name5-(5-chloro-2-hydroxybenzoyl)-N,1-bis(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESO=C(c1cc(C(=O)Nc2ccc(F)cc2)c(=O)n(-c2ccc(F)cc2)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C25H15ClF2N2O4/c26-15-1-10-22(31)20(12-15)23(32)14-11-21(24(33)29-18-6-2-16(27)3-7-18)25(34)30(13-14)19-8-4-17(28)5-9-19/h1-13,31H,(H,29,33)
InChIKeyKTDHEMUQUAXXRQ-UHFFFAOYSA-N
XLogP4.96
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.85
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-hydroxybenzoyl)-N,1-bis(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 5-(5-chloro-2-hydroxybenzoyl)-N,1-bis(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 2368904) is 5-(5-chloro-2-hydroxybenzoyl)-N,1-bis(4-fluorophenyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-(5-chloro-2-hydroxybenzoyl)-N,1-bis(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 5-(5-chloro-2-hydroxybenzoyl)-N,1-bis(4-fluorophenyl)-2-oxopyridine-3-carboxamide is O=C(c1cc(C(=O)Nc2ccc(F)cc2)c(=O)n(-c2ccc(F)cc2)c1)c1cc(Cl)ccc1O.
What is the InChIKey of 5-(5-chloro-2-hydroxybenzoyl)-N,1-bis(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is KTDHEMUQUAXXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15ClF2N2O4/c26-15-1-10-22(31)20(12-15)23(32)14-11-21(24(33)29-18-6-2-16(27)3-7-18)25(34)30(13-14)19-8-4-17(28)5-9-19/h1-13,31H,(H,29,33).
What are the key properties of 5-(5-chloro-2-hydroxybenzoyl)-N,1-bis(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
5-(5-chloro-2-hydroxybenzoyl)-N,1-bis(4-fluorophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 480.85 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-hydroxybenzoyl)-N,1-bis(4-fluorophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 2368904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).