2-(4-bromophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide

C19H22BrNO2 — CID 113100170

IUPAC2-(4-bromophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide
SMILESCC(C)c1ccccc1OCCNC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C19H22BrNO2/c1-14(2)17-5-3-4-6-18(17)23-12-11-21-19(22)13-15-7-9-16(20)10-8-15/h3-10,14H,11-13H2,1-2H3,(H,21,22)
InChIKeyAOPBOJCQGUQMSZ-UHFFFAOYSA-N
MW376.29 g/mol
LogP4.31
Rot. Bonds7

About 2-(4-bromophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide

2-(4-bromophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide (PubChem CID 113100170) has the molecular formula C19H22BrNO2 and a molecular weight of 376.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide
PubChem CID113100170
Molecular FormulaC19H22BrNO2
Molecular Weight376.29 g/mol
Exact Mass375.08
IUPAC Name2-(4-bromophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide
SMILESCC(C)c1ccccc1OCCNC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C19H22BrNO2/c1-14(2)17-5-3-4-6-18(17)23-12-11-21-19(22)13-15-7-9-16(20)10-8-15/h3-10,14H,11-13H2,1-2H3,(H,21,22)
InChIKeyAOPBOJCQGUQMSZ-UHFFFAOYSA-N
XLogP4.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenyl)-N-[2-(2,3-dimethoxyphenoxy)ethyl]acetamide
CID 113101961
3-(2-aminophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride
CID 120610734
5-bromo-2-[2-(2-propan-2-ylphenoxy)ethoxy]benzoic acid
CID 22683649
N-[2-(2-bromophenoxy)ethyl]-2-(4-chlorophenyl)acetamide
CID 113099571
2-amino-3-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide
CID 119784411
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 111435144
2-(4-bromophenyl)-N-[2-(4-chloro-2-methylphenoxy)ethyl]acetamide
CID 113102620
1-[(2-methoxyphenyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972214
3,4-dimethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]benzamide
CID 99099115
2-(4-bromophenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144672
4-[2-(2-propan-2-ylphenoxy)ethylcarbamoylamino]butanoic acid
CID 122001770
1-[3-(dimethylamino)propyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972198

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide (CID 113100170) is 2-(4-bromophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide is CC(C)c1ccccc1OCCNC(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide?
The InChIKey is AOPBOJCQGUQMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO2/c1-14(2)17-5-3-4-6-18(17)23-12-11-21-19(22)13-15-7-9-16(20)10-8-15/h3-10,14H,11-13H2,1-2H3,(H,21,22).
What are the key properties of 2-(4-bromophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide?
2-(4-bromophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide has a molecular weight of 376.29 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide is sourced from PubChem (CID 113100170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).