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

C17H18BrNO — CID 47106591

IUPACN-[1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NC(C)c1ccc(Br)cc1
InChIInChI=1S/C17H18BrNO/c1-12-5-3-4-6-15(12)11-17(20)19-13(2)14-7-9-16(18)10-8-14/h3-10,13H,11H2,1-2H3,(H,19,20)
InChIKeyGCFQITHQGZUCAQ-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.18
Rot. Bonds4

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

N-[1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)acetamide (PubChem CID 47106591) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)acetamide
PubChem CID47106591
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NC(C)c1ccc(Br)cc1
InChIInChI=1S/C17H18BrNO/c1-12-5-3-4-6-15(12)11-17(20)19-13(2)14-7-9-16(18)10-8-14/h3-10,13H,11H2,1-2H3,(H,19,20)
InChIKeyGCFQITHQGZUCAQ-UHFFFAOYSA-N
XLogP4.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-aminophenyl)-N-[1-(4-bromophenyl)ethyl]acetamide
CID 61118326
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9218856
N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 51175691
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 51177669
2-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751622
N-[1-(4-bromophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 47097775
3-[1-(4-bromophenyl)ethylamino]-3-oxopropanoic acid
CID 62232239
N-[1-(4-bromophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 42999115
2-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 61102579
2-(2,5-dimethylphenyl)-N-(1-phenylethyl)acetamide
CID 43905087
2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 879347
N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]benzamide
CID 24635359

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)acetamide (CID 47106591) is N-[1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NC(C)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)acetamide?
The InChIKey is GCFQITHQGZUCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-12-5-3-4-6-15(12)11-17(20)19-13(2)14-7-9-16(18)10-8-14/h3-10,13H,11H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)acetamide?
N-[1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)acetamide has a molecular weight of 332.24 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 47106591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).