2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide

C15H21BrClNO3 — CID 9480027

IUPAC2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCc1cc(Br)cc(Cl)c1OCC(=O)NCCCOC(C)C
InChIInChI=1S/C15H21BrClNO3/c1-10(2)20-6-4-5-18-14(19)9-21-15-11(3)7-12(16)8-13(15)17/h7-8,10H,4-6,9H2,1-3H3,(H,18,19)
InChIKeyYXWZRYMROUXNIX-UHFFFAOYSA-N
MW378.69 g/mol
LogP3.72
Rot. Bonds8

About 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide

2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 9480027) has the molecular formula C15H21BrClNO3 and a molecular weight of 378.69 g/mol. Its IUPAC name is 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID9480027
Molecular FormulaC15H21BrClNO3
Molecular Weight378.69 g/mol
Exact Mass377.04
IUPAC Name2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCc1cc(Br)cc(Cl)c1OCC(=O)NCCCOC(C)C
InChIInChI=1S/C15H21BrClNO3/c1-10(2)20-6-4-5-18-14(19)9-21-15-11(3)7-12(16)8-13(15)17/h7-8,10H,4-6,9H2,1-3H3,(H,18,19)
InChIKeyYXWZRYMROUXNIX-UHFFFAOYSA-N
XLogP3.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.69
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 4813283
2-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]-N-propylacetamide
CID 9163241
2-(4-bromo-2,3,5-trimethylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 4268508
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7233561
[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-(4-bromo-2-chloro-6-methylphenoxy)acetate
CID 8942559
2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 19175976
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 17401622
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7233584
2-(4-bromo-2-chloro-6-methylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 9338815
2-(4-bromo-2-chloro-6-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 9338818
4-(4-bromo-2-chloro-6-methylphenoxy)butanoic acid
CID 43351509
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2620897

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide (CID 9480027) is 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide is Cc1cc(Br)cc(Cl)c1OCC(=O)NCCCOC(C)C.
What is the InChIKey of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is YXWZRYMROUXNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClNO3/c1-10(2)20-6-4-5-18-14(19)9-21-15-11(3)7-12(16)8-13(15)17/h7-8,10H,4-6,9H2,1-3H3,(H,18,19).
What are the key properties of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide?
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 378.69 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 9480027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).