4-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide

C18H18BrNO4 — CID 51143693

IUPAC4-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(NC(=O)CCC(=O)c2ccc(Br)cc2)c(OC)c1
InChIInChI=1S/C18H18BrNO4/c1-23-14-7-8-15(17(11-14)24-2)20-18(22)10-9-16(21)12-3-5-13(19)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,20,22)
InChIKeyVNOFMHHZJLGJKE-UHFFFAOYSA-N
MW392.25 g/mol
LogP4.07
Rot. Bonds7

About 4-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide

4-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide (PubChem CID 51143693) has the molecular formula C18H18BrNO4 and a molecular weight of 392.25 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide
PubChem CID51143693
Molecular FormulaC18H18BrNO4
Molecular Weight392.25 g/mol
Exact Mass391.04
IUPAC Name4-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(NC(=O)CCC(=O)c2ccc(Br)cc2)c(OC)c1
InChIInChI=1S/C18H18BrNO4/c1-23-14-7-8-15(17(11-14)24-2)20-18(22)10-9-16(21)12-3-5-13(19)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,20,22)
InChIKeyVNOFMHHZJLGJKE-UHFFFAOYSA-N
XLogP4.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 18269206
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide
CID 51143686
N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 51159707
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
4-(4-bromophenyl)-N-(4-methoxy-3-pyridinyl)-4-oxobutanamide
CID 60608660
N-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)-4-oxobutanamide
CID 110423070
3-(2-bromo-4,5-dimethoxyphenyl)-N-(2,4-dimethoxyphenyl)propanamide
CID 1406234
N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide
CID 79019431
2-[(4-bromophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 18078781
2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 126155694
4-(3-bromophenoxy)-N-(2,4-dimethoxyphenyl)butanamide
CID 2709343
N-(2,4-dimethoxyphenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26692146

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide?
The IUPAC name of 4-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide (CID 51143693) is 4-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide is COc1ccc(NC(=O)CCC(=O)c2ccc(Br)cc2)c(OC)c1.
What is the InChIKey of 4-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide?
The InChIKey is VNOFMHHZJLGJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO4/c1-23-14-7-8-15(17(11-14)24-2)20-18(22)10-9-16(21)12-3-5-13(19)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,20,22).
What are the key properties of 4-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide?
4-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide has a molecular weight of 392.25 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 51143693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).