N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(4-fluorobenzoyl)amino]benzamide

C26H19ClFN3O3 — CID 46494415

IUPACN-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(4-fluorobenzoyl)amino]benzamide
SMILESO=C(Nc1cccc(C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)c1)c1ccc(F)cc1
InChIInChI=1S/C26H19ClFN3O3/c27-23-7-2-1-4-19(23)15-31-16-22(12-13-24(31)32)30-26(34)18-5-3-6-21(14-18)29-25(33)17-8-10-20(28)11-9-17/h1-14,16H,15H2,(H,29,33)(H,30,34)
InChIKeyKSYUMITYEFPLIP-UHFFFAOYSA-N
MW475.91 g/mol
LogP5.19
Rot. Bonds6

About N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(4-fluorobenzoyl)amino]benzamide

N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(4-fluorobenzoyl)amino]benzamide (PubChem CID 46494415) has the molecular formula C26H19ClFN3O3 and a molecular weight of 475.91 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(4-fluorobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(4-fluorobenzoyl)amino]benzamide
PubChem CID46494415
Molecular FormulaC26H19ClFN3O3
Molecular Weight475.91 g/mol
Exact Mass475.11
IUPAC NameN-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(4-fluorobenzoyl)amino]benzamide
SMILESO=C(Nc1cccc(C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)c1)c1ccc(F)cc1
InChIInChI=1S/C26H19ClFN3O3/c27-23-7-2-1-4-19(23)15-31-16-22(12-13-24(31)32)30-26(34)18-5-3-6-21(14-18)29-25(33)17-8-10-20(28)11-9-17/h1-14,16H,15H2,(H,29,33)(H,30,34)
InChIKeyKSYUMITYEFPLIP-UHFFFAOYSA-N
XLogP5.19
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.91
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-[3-(dimethylcarbamoyl)phenyl]-6-oxopyridine-3-carboxamide
CID 30387044
1-[(2-chlorophenyl)methyl]-N-(3-iodophenyl)-6-oxopyridine-3-carboxamide
CID 24559544
1-[(2-chlorophenyl)methyl]-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-oxopyridine-3-carboxamide
CID 112845976
1-[(2-chlorophenyl)methyl]-6-oxo-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 8671405
1-[(2-chlorophenyl)methyl]-N-[3-(3-cyanopropoxy)phenyl]-6-oxopyridine-3-carboxamide
CID 112846111
N'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide
CID 24546266
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
CID 55804082
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-6-ethoxypyridine-3-carboxamide
CID 87005498
1-[(2-chlorophenyl)methyl]-N-(4-nitrophenyl)-6-oxopyridine-3-carboxamide
CID 8671412
1-N-[(2-chlorophenyl)methyl]-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109047321
N-(1-ethyl-6-oxo-3-pyridinyl)-4-fluorobenzamide
CID 47254966
1-[(2-chlorophenyl)methyl]-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-6-oxopyridine-3-carboxamide
CID 112822360

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(4-fluorobenzoyl)amino]benzamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(4-fluorobenzoyl)amino]benzamide (CID 46494415) is N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(4-fluorobenzoyl)amino]benzamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(4-fluorobenzoyl)amino]benzamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(4-fluorobenzoyl)amino]benzamide is O=C(Nc1cccc(C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)c1)c1ccc(F)cc1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(4-fluorobenzoyl)amino]benzamide?
The InChIKey is KSYUMITYEFPLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClFN3O3/c27-23-7-2-1-4-19(23)15-31-16-22(12-13-24(31)32)30-26(34)18-5-3-6-21(14-18)29-25(33)17-8-10-20(28)11-9-17/h1-14,16H,15H2,(H,29,33)(H,30,34).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(4-fluorobenzoyl)amino]benzamide?
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(4-fluorobenzoyl)amino]benzamide has a molecular weight of 475.91 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(4-fluorobenzoyl)amino]benzamide is sourced from PubChem (CID 46494415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).