N-(4-bromo-3-methylphenyl)-4-(3-methoxyphenyl)-4-oxobutanamide

C18H18BrNO3 — CID 110426251

IUPACN-(4-bromo-3-methylphenyl)-4-(3-methoxyphenyl)-4-oxobutanamide
SMILESCOc1cccc(C(=O)CCC(=O)Nc2ccc(Br)c(C)c2)c1
InChIInChI=1S/C18H18BrNO3/c1-12-10-14(6-7-16(12)19)20-18(22)9-8-17(21)13-4-3-5-15(11-13)23-2/h3-7,10-11H,8-9H2,1-2H3,(H,20,22)
InChIKeyFXASBYZDKROSDN-UHFFFAOYSA-N
MW376.25 g/mol
LogP4.37
Rot. Bonds6

About N-(4-bromo-3-methylphenyl)-4-(3-methoxyphenyl)-4-oxobutanamide

N-(4-bromo-3-methylphenyl)-4-(3-methoxyphenyl)-4-oxobutanamide (PubChem CID 110426251) has the molecular formula C18H18BrNO3 and a molecular weight of 376.25 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-4-(3-methoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-4-(3-methoxyphenyl)-4-oxobutanamide
PubChem CID110426251
Molecular FormulaC18H18BrNO3
Molecular Weight376.25 g/mol
Exact Mass375.05
IUPAC NameN-(4-bromo-3-methylphenyl)-4-(3-methoxyphenyl)-4-oxobutanamide
SMILESCOc1cccc(C(=O)CCC(=O)Nc2ccc(Br)c(C)c2)c1
InChIInChI=1S/C18H18BrNO3/c1-12-10-14(6-7-16(12)19)20-18(22)9-8-17(21)13-4-3-5-15(11-13)23-2/h3-7,10-11H,8-9H2,1-2H3,(H,20,22)
InChIKeyFXASBYZDKROSDN-UHFFFAOYSA-N
XLogP4.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[4-(3-methoxyphenyl)-4-oxobutanoyl]amino]benzoate
CID 110424348
N-[4-(dimethylamino)phenyl]-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110424715
N-(4-bromo-3-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9165178
N-(2-anilino-2-oxoethyl)-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110624279
N-(1-acetyl-2,3-dihydroindol-6-yl)-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110627267
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110606227
4-(3-methoxyphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110607947
[2-(3-methoxyphenyl)-2-oxoethyl] 4-(4-methylanilino)-4-oxobutanoate
CID 3850666
4-bromo-N-(3-methoxyphenyl)-3-methylbenzamide
CID 112705642
4-(3-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide
CID 110613002
2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide
CID 9099464
N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 710659

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-4-(3-methoxyphenyl)-4-oxobutanamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-4-(3-methoxyphenyl)-4-oxobutanamide (CID 110426251) is N-(4-bromo-3-methylphenyl)-4-(3-methoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-4-(3-methoxyphenyl)-4-oxobutanamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-4-(3-methoxyphenyl)-4-oxobutanamide is COc1cccc(C(=O)CCC(=O)Nc2ccc(Br)c(C)c2)c1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-4-(3-methoxyphenyl)-4-oxobutanamide?
The InChIKey is FXASBYZDKROSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO3/c1-12-10-14(6-7-16(12)19)20-18(22)9-8-17(21)13-4-3-5-15(11-13)23-2/h3-7,10-11H,8-9H2,1-2H3,(H,20,22).
What are the key properties of N-(4-bromo-3-methylphenyl)-4-(3-methoxyphenyl)-4-oxobutanamide?
N-(4-bromo-3-methylphenyl)-4-(3-methoxyphenyl)-4-oxobutanamide has a molecular weight of 376.25 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-4-(3-methoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 110426251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).