2-(4-bromophenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide

C17H18BrNO2 — CID 51144672

IUPAC2-(4-bromophenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1C(C)NC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C17H18BrNO2/c1-12(15-5-3-4-6-16(15)21-2)19-17(20)11-13-7-9-14(18)10-8-13/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyCBESOGFGZVCGMK-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.88
Rot. Bonds5

About 2-(4-bromophenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide

2-(4-bromophenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 51144672) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
PubChem CID51144672
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name2-(4-bromophenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1C(C)NC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C17H18BrNO2/c1-12(15-5-3-4-6-16(15)21-2)19-17(20)11-13-7-9-14(18)10-8-13/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyCBESOGFGZVCGMK-UHFFFAOYSA-N
XLogP3.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26883011
2-(3,4-dichlorophenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 4883247
2-(2,4-dimethylphenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133251795
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28544990
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
2-(2,5-dimethoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28560338
2-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 171679111
2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)-[[2-(4-methoxyphenyl)acetyl]amino]methyl]acetamide
CID 18839457
2-(4-methoxy-3-methylphenyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 133187396
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 94861292
2-(3-bromophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 100702613
N-[1-(2-bromophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78807026

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide (CID 51144672) is 2-(4-bromophenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1C(C)NC(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is CBESOGFGZVCGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-12(15-5-3-4-6-16(15)21-2)19-17(20)11-13-7-9-14(18)10-8-13/h3-10,12H,11H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-bromophenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide?
2-(4-bromophenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 348.24 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 51144672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).