2-(4-bromophenyl)-N-[2-(4-chloro-2-methylphenoxy)ethyl]acetamide

C17H17BrClNO2 — CID 113102620

IUPAC2-(4-bromophenyl)-N-[2-(4-chloro-2-methylphenoxy)ethyl]acetamide
SMILESCc1cc(Cl)ccc1OCCNC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C17H17BrClNO2/c1-12-10-15(19)6-7-16(12)22-9-8-20-17(21)11-13-2-4-14(18)5-3-13/h2-7,10H,8-9,11H2,1H3,(H,20,21)
InChIKeyWQPIBQNGJXZOQF-UHFFFAOYSA-N
MW382.69 g/mol
LogP4.15
Rot. Bonds6

About 2-(4-bromophenyl)-N-[2-(4-chloro-2-methylphenoxy)ethyl]acetamide

2-(4-bromophenyl)-N-[2-(4-chloro-2-methylphenoxy)ethyl]acetamide (PubChem CID 113102620) has the molecular formula C17H17BrClNO2 and a molecular weight of 382.69 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[2-(4-chloro-2-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[2-(4-chloro-2-methylphenoxy)ethyl]acetamide
PubChem CID113102620
Molecular FormulaC17H17BrClNO2
Molecular Weight382.69 g/mol
Exact Mass381.01
IUPAC Name2-(4-bromophenyl)-N-[2-(4-chloro-2-methylphenoxy)ethyl]acetamide
SMILESCc1cc(Cl)ccc1OCCNC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C17H17BrClNO2/c1-12-10-15(19)6-7-16(12)22-9-8-20-17(21)11-13-2-4-14(18)5-3-13/h2-7,10H,8-9,11H2,1H3,(H,20,21)
InChIKeyWQPIBQNGJXZOQF-UHFFFAOYSA-N
XLogP4.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.69
LogP ≤ 54.15
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

1-[3-(4-chloro-2-methylphenoxy)propyl]-3-[[2-(4-fluorophenyl)acetyl]amino]urea
CID 60580608
2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 2276597
2-(4-bromophenyl)-N-[2-(3,4-dimethylphenoxy)ethyl]acetamide
CID 113101041
5-bromo-N-[2-(4-chloro-2-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 2277112
N-(4-bromophenyl)-4-(4-chloro-2-methylphenoxy)butanamide
CID 4174963
2-(4-chlorophenyl)-N-[2-(2,4,6-trimethylphenoxy)ethyl]acetamide
CID 113101342
N-[2-(2-bromophenoxy)ethyl]-2-(4-chlorophenyl)acetamide
CID 113099571
N-[2-(4-chloro-2-methylphenoxy)ethyl]-2,6-dimethoxybenzamide
CID 113102587
N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113102607
2-(4-chloro-2-methylphenoxy)-N-(2-phenoxyethyl)acetamide
CID 26903383
2-(4-chloro-2-methylphenoxy)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide
CID 19174022
1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 112976514

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[2-(4-chloro-2-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[2-(4-chloro-2-methylphenoxy)ethyl]acetamide (CID 113102620) is 2-(4-bromophenyl)-N-[2-(4-chloro-2-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[2-(4-chloro-2-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[2-(4-chloro-2-methylphenoxy)ethyl]acetamide is Cc1cc(Cl)ccc1OCCNC(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[2-(4-chloro-2-methylphenoxy)ethyl]acetamide?
The InChIKey is WQPIBQNGJXZOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO2/c1-12-10-15(19)6-7-16(12)22-9-8-20-17(21)11-13-2-4-14(18)5-3-13/h2-7,10H,8-9,11H2,1H3,(H,20,21).
What are the key properties of 2-(4-bromophenyl)-N-[2-(4-chloro-2-methylphenoxy)ethyl]acetamide?
2-(4-bromophenyl)-N-[2-(4-chloro-2-methylphenoxy)ethyl]acetamide has a molecular weight of 382.69 g/mol, XLogP of 4.15, 6 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-(4-chloro-2-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 113102620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).