1-[(3-chlorophenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-2-oxopyridine-3-carboxamide

C19H13ClFN3O4 — CID 7599112

IUPAC1-[(3-chlorophenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccn(Cc2cccc(Cl)c2)c1=O
InChIInChI=1S/C19H13ClFN3O4/c20-13-4-1-3-12(9-13)11-23-8-2-5-15(19(23)26)18(25)22-14-6-7-16(21)17(10-14)24(27)28/h1-10H,11H2,(H,22,25)
InChIKeyBMXFXLAUTFDKPS-UHFFFAOYSA-N
MW401.78 g/mol
LogP3.85
Rot. Bonds5

About 1-[(3-chlorophenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-2-oxopyridine-3-carboxamide

1-[(3-chlorophenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 7599112) has the molecular formula C19H13ClFN3O4 and a molecular weight of 401.78 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-2-oxopyridine-3-carboxamide
PubChem CID7599112
Molecular FormulaC19H13ClFN3O4
Molecular Weight401.78 g/mol
Exact Mass401.06
IUPAC Name1-[(3-chlorophenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccn(Cc2cccc(Cl)c2)c1=O
InChIInChI=1S/C19H13ClFN3O4/c20-13-4-1-3-12(9-13)11-23-8-2-5-15(19(23)26)18(25)22-14-6-7-16(21)17(10-14)24(27)28/h1-10H,11H2,(H,22,25)
InChIKeyBMXFXLAUTFDKPS-UHFFFAOYSA-N
XLogP3.85
TPSA94.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.78
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(3-chlorophenyl)methyl]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7599052
1-[(3-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)-2-oxopyridine-3-carboxamide
CID 8670922
N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599167
N-(4-acetylphenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599073
1-(4-chlorophenyl)-3-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea
CID 30859509
1-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 7598014
N-(2,5-difluorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599222
1-[(3-methylphenyl)methyl]-N-(3-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7598295
N-(3-methylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599175
N-(3-acetylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599212
N-(3,5-dimethylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599231
1-[(4-chlorophenyl)methyl]-N-(3-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7598003

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-2-oxopyridine-3-carboxamide (CID 7599112) is 1-[(3-chlorophenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-2-oxopyridine-3-carboxamide is O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccn(Cc2cccc(Cl)c2)c1=O.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is BMXFXLAUTFDKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3O4/c20-13-4-1-3-12(9-13)11-23-8-2-5-15(19(23)26)18(25)22-14-6-7-16(21)17(10-14)24(27)28/h1-10H,11H2,(H,22,25).
What are the key properties of 1-[(3-chlorophenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-2-oxopyridine-3-carboxamide?
1-[(3-chlorophenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 401.78 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7599112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).