4-(4-bromophenyl)-N-(4-methoxy-3-pyridinyl)-4-oxobutanamide

C16H15BrN2O3 — CID 60608660

IUPAC4-(4-bromophenyl)-N-(4-methoxy-3-pyridinyl)-4-oxobutanamide
SMILESCOc1ccncc1NC(=O)CCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrN2O3/c1-22-15-8-9-18-10-13(15)19-16(21)7-6-14(20)11-2-4-12(17)5-3-11/h2-5,8-10H,6-7H2,1H3,(H,19,21)
InChIKeyLMUWOIQMGLKASI-UHFFFAOYSA-N
MW363.21 g/mol
LogP3.45
Rot. Bonds6

About 4-(4-bromophenyl)-N-(4-methoxy-3-pyridinyl)-4-oxobutanamide

4-(4-bromophenyl)-N-(4-methoxy-3-pyridinyl)-4-oxobutanamide (PubChem CID 60608660) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-(4-methoxy-3-pyridinyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-(4-methoxy-3-pyridinyl)-4-oxobutanamide
PubChem CID60608660
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC Name4-(4-bromophenyl)-N-(4-methoxy-3-pyridinyl)-4-oxobutanamide
SMILESCOc1ccncc1NC(=O)CCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrN2O3/c1-22-15-8-9-18-10-13(15)19-16(21)7-6-14(20)11-2-4-12(17)5-3-11/h2-5,8-10H,6-7H2,1H3,(H,19,21)
InChIKeyLMUWOIQMGLKASI-UHFFFAOYSA-N
XLogP3.45
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxy-3-pyridinyl)pentanamide
CID 60608647
4-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide
CID 51143693
4-amino-N-(4-methoxy-3-pyridinyl)pentanamide;dihydrochloride
CID 120565135
N-(4-methoxy-3-pyridinyl)-3-methylbutanamide
CID 176872995
methyl 4-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]benzoate
CID 1347180
N-(5-acetamido-2-methoxyphenyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 26889665
4-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 26709895
N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 51159707
4-methoxy-3-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 51090288
4-(4-bromophenyl)-N-[2-(difluoromethoxy)phenyl]-4-oxobutanamide
CID 38169110
2-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]benzamide
CID 51208638
4-(3-fluorophenyl)-N-(4-methoxy-3-pyridinyl)-3-methyl-4-oxobutanamide
CID 71984441

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-(4-methoxy-3-pyridinyl)-4-oxobutanamide?
The IUPAC name of 4-(4-bromophenyl)-N-(4-methoxy-3-pyridinyl)-4-oxobutanamide (CID 60608660) is 4-(4-bromophenyl)-N-(4-methoxy-3-pyridinyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-bromophenyl)-N-(4-methoxy-3-pyridinyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-bromophenyl)-N-(4-methoxy-3-pyridinyl)-4-oxobutanamide is COc1ccncc1NC(=O)CCC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N-(4-methoxy-3-pyridinyl)-4-oxobutanamide?
The InChIKey is LMUWOIQMGLKASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c1-22-15-8-9-18-10-13(15)19-16(21)7-6-14(20)11-2-4-12(17)5-3-11/h2-5,8-10H,6-7H2,1H3,(H,19,21).
What are the key properties of 4-(4-bromophenyl)-N-(4-methoxy-3-pyridinyl)-4-oxobutanamide?
4-(4-bromophenyl)-N-(4-methoxy-3-pyridinyl)-4-oxobutanamide has a molecular weight of 363.21 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-(4-methoxy-3-pyridinyl)-4-oxobutanamide is sourced from PubChem (CID 60608660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).