N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(4-chlorophenyl)-4-oxobutanamide

C15H12BrClN2O3 — CID 84558738

IUPACN-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(4-chlorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)Nc1cc(Br)c[nH]c1=O
InChIInChI=1S/C15H12BrClN2O3/c16-10-7-12(15(22)18-8-10)19-14(21)6-5-13(20)9-1-3-11(17)4-2-9/h1-4,7-8H,5-6H2,(H,18,22)(H,19,21)
InChIKeyRUDPWMIJDOBYAD-UHFFFAOYSA-N
MW383.63 g/mol
LogP3.39
Rot. Bonds5

About N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(4-chlorophenyl)-4-oxobutanamide

N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(4-chlorophenyl)-4-oxobutanamide (PubChem CID 84558738) has the molecular formula C15H12BrClN2O3 and a molecular weight of 383.63 g/mol. Its IUPAC name is N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(4-chlorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(4-chlorophenyl)-4-oxobutanamide
PubChem CID84558738
Molecular FormulaC15H12BrClN2O3
Molecular Weight383.63 g/mol
Exact Mass381.97
IUPAC NameN-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(4-chlorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)Nc1cc(Br)c[nH]c1=O
InChIInChI=1S/C15H12BrClN2O3/c16-10-7-12(15(22)18-8-10)19-14(21)6-5-13(20)9-1-3-11(17)4-2-9/h1-4,7-8H,5-6H2,(H,18,22)(H,19,21)
InChIKeyRUDPWMIJDOBYAD-UHFFFAOYSA-N
XLogP3.39
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.63
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-(4-chlorophenoxy)acetamide
CID 84558529
3-amino-N-(5-bromo-2-oxo-1H-pyridin-3-yl)propanamide;dihydrochloride
CID 119862492
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-methylphenyl)propanamide
CID 84558557
N-(4-chloro-2-methylphenyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 26664486
N-(5-acetyl-2-chlorophenyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 108808163
4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 42029067
4-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)-4-oxobutanamide
CID 108808181
4-(4-chlorophenyl)-N-(2-methylsulfanylphenyl)-4-oxobutanamide
CID 38168905
methyl 4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-3-hydroxybenzoate
CID 108744924
4-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 26709895
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(methylsulfanylmethyl)benzamide
CID 84558483
N-(4-chloro-2-nitrophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 108807032

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(4-chlorophenyl)-4-oxobutanamide?
The IUPAC name of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(4-chlorophenyl)-4-oxobutanamide (CID 84558738) is N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(4-chlorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(4-chlorophenyl)-4-oxobutanamide?
The canonical SMILES for N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(4-chlorophenyl)-4-oxobutanamide is O=C(CCC(=O)c1ccc(Cl)cc1)Nc1cc(Br)c[nH]c1=O.
What is the InChIKey of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(4-chlorophenyl)-4-oxobutanamide?
The InChIKey is RUDPWMIJDOBYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O3/c16-10-7-12(15(22)18-8-10)19-14(21)6-5-13(20)9-1-3-11(17)4-2-9/h1-4,7-8H,5-6H2,(H,18,22)(H,19,21).
What are the key properties of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(4-chlorophenyl)-4-oxobutanamide?
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(4-chlorophenyl)-4-oxobutanamide has a molecular weight of 383.63 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(4-chlorophenyl)-4-oxobutanamide is sourced from PubChem (CID 84558738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).