2-(4-bromo-3-methylphenoxy)-N-(4-methoxyphenyl)acetamide

C16H16BrNO3 — CID 1010190

IUPAC2-(4-bromo-3-methylphenoxy)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C16H16BrNO3/c1-11-9-14(7-8-15(11)17)21-10-16(19)18-12-3-5-13(20-2)6-4-12/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyKRWLZWQRGCFCTM-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.78
Rot. Bonds5

About 2-(4-bromo-3-methylphenoxy)-N-(4-methoxyphenyl)acetamide

2-(4-bromo-3-methylphenoxy)-N-(4-methoxyphenyl)acetamide (PubChem CID 1010190) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenoxy)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenoxy)-N-(4-methoxyphenyl)acetamide
PubChem CID1010190
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name2-(4-bromo-3-methylphenoxy)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C16H16BrNO3/c1-11-9-14(7-8-15(11)17)21-10-16(19)18-12-3-5-13(20-2)6-4-12/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyKRWLZWQRGCFCTM-UHFFFAOYSA-N
XLogP3.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-3-methylphenoxy)-N-(4-methoxyphenyl)acetamide 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

2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide
CID 9099464
2-[3-[2-(4-methoxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 71417144
2-(3,5-dimethoxyphenoxy)-N-(4-methoxyphenyl)acetamide
CID 7707204
4-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
CID 17196145
methyl 2-[4-[2-(4-bromo-3-methylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695168
2-(4-bromo-3-methylphenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
CID 4026517
2-(4-bromo-3-methylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1329929
N-(4-methoxyphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 877304
2-(4-bromo-3-methylphenoxy)-N-(3-butoxyphenyl)acetamide
CID 17095041
2-(4-bromo-3-methylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28636573
N-[3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 17204545
2-(4-bromo-3-methylphenoxy)-N-[(4-phenoxyphenyl)carbamothioyl]acetamide
CID 3378849

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenoxy)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-bromo-3-methylphenoxy)-N-(4-methoxyphenyl)acetamide (CID 1010190) is 2-(4-bromo-3-methylphenoxy)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-3-methylphenoxy)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-3-methylphenoxy)-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)COc2ccc(Br)c(C)c2)cc1.
What is the InChIKey of 2-(4-bromo-3-methylphenoxy)-N-(4-methoxyphenyl)acetamide?
The InChIKey is KRWLZWQRGCFCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-11-9-14(7-8-15(11)17)21-10-16(19)18-12-3-5-13(20-2)6-4-12/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-bromo-3-methylphenoxy)-N-(4-methoxyphenyl)acetamide?
2-(4-bromo-3-methylphenoxy)-N-(4-methoxyphenyl)acetamide has a molecular weight of 350.21 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenoxy)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 1010190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).