4-bromo-2-methoxy-N-(4-propan-2-ylphenyl)benzamide

C17H18BrNO2 — CID 115369160

IUPAC4-bromo-2-methoxy-N-(4-propan-2-ylphenyl)benzamide
SMILESCOc1cc(Br)ccc1C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C17H18BrNO2/c1-11(2)12-4-7-14(8-5-12)19-17(20)15-9-6-13(18)10-16(15)21-3/h4-11H,1-3H3,(H,19,20)
InChIKeyUKUFQLBRUWDGNA-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.83
Rot. Bonds4

About 4-bromo-2-methoxy-N-(4-propan-2-ylphenyl)benzamide

4-bromo-2-methoxy-N-(4-propan-2-ylphenyl)benzamide (PubChem CID 115369160) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 4-bromo-2-methoxy-N-(4-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-methoxy-N-(4-propan-2-ylphenyl)benzamide
PubChem CID115369160
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name4-bromo-2-methoxy-N-(4-propan-2-ylphenyl)benzamide
SMILESCOc1cc(Br)ccc1C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C17H18BrNO2/c1-11(2)12-4-7-14(8-5-12)19-17(20)15-9-6-13(18)10-16(15)21-3/h4-11H,1-3H3,(H,19,20)
InChIKeyUKUFQLBRUWDGNA-UHFFFAOYSA-N
XLogP4.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-2-methoxy-N-(4-propan-2-ylphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-(3-chloro-4-methylphenyl)-2-methoxybenzamide
CID 115369155
5-bromo-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 1299225
N-[4-[(1R)-1-hydroxyethyl]phenyl]-2,4-dimethoxybenzamide
CID 100803459
4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
CID 78987917
4-bromo-N-(5-bromo-2-chlorophenyl)-2-methoxybenzamide
CID 78920099
N-(1,3-benzodioxol-5-yl)-4-bromo-2-methoxybenzamide
CID 78987803
4-bromo-2-methoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115610368
4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-2-methoxybenzamide
CID 103745322
4-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 78987594
4-bromo-N-[3-(hydroxymethyl)phenyl]-2-methoxybenzamide
CID 78988027
propan-2-yl 4-[(5-bromo-2-methoxybenzoyl)amino]benzoate
CID 17050502
5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide
CID 17296371

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-N-(4-propan-2-ylphenyl)benzamide?
The IUPAC name of 4-bromo-2-methoxy-N-(4-propan-2-ylphenyl)benzamide (CID 115369160) is 4-bromo-2-methoxy-N-(4-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 4-bromo-2-methoxy-N-(4-propan-2-ylphenyl)benzamide?
The canonical SMILES for 4-bromo-2-methoxy-N-(4-propan-2-ylphenyl)benzamide is COc1cc(Br)ccc1C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 4-bromo-2-methoxy-N-(4-propan-2-ylphenyl)benzamide?
The InChIKey is UKUFQLBRUWDGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-11(2)12-4-7-14(8-5-12)19-17(20)15-9-6-13(18)10-16(15)21-3/h4-11H,1-3H3,(H,19,20).
What are the key properties of 4-bromo-2-methoxy-N-(4-propan-2-ylphenyl)benzamide?
4-bromo-2-methoxy-N-(4-propan-2-ylphenyl)benzamide has a molecular weight of 348.24 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-N-(4-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 115369160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).