2-(4-bromo-3-methylphenoxy)-N-(3-butoxyphenyl)acetamide

C19H22BrNO3 — CID 17095041

IUPAC2-(4-bromo-3-methylphenoxy)-N-(3-butoxyphenyl)acetamide
SMILESCCCCOc1cccc(NC(=O)COc2ccc(Br)c(C)c2)c1
InChIInChI=1S/C19H22BrNO3/c1-3-4-10-23-16-7-5-6-15(12-16)21-19(22)13-24-17-8-9-18(20)14(2)11-17/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,21,22)
InChIKeyQUCFMCCVWSZVFR-UHFFFAOYSA-N
MW392.29 g/mol
LogP4.95
Rot. Bonds8

About 2-(4-bromo-3-methylphenoxy)-N-(3-butoxyphenyl)acetamide

2-(4-bromo-3-methylphenoxy)-N-(3-butoxyphenyl)acetamide (PubChem CID 17095041) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenoxy)-N-(3-butoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenoxy)-N-(3-butoxyphenyl)acetamide
PubChem CID17095041
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC Name2-(4-bromo-3-methylphenoxy)-N-(3-butoxyphenyl)acetamide
SMILESCCCCOc1cccc(NC(=O)COc2ccc(Br)c(C)c2)c1
InChIInChI=1S/C19H22BrNO3/c1-3-4-10-23-16-7-5-6-15(12-16)21-19(22)13-24-17-8-9-18(20)14(2)11-17/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,21,22)
InChIKeyQUCFMCCVWSZVFR-UHFFFAOYSA-N
XLogP4.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.95
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

N-(3-butoxyphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 17095038
2-(4-chloro-3-methylphenoxy)-N-(3-hexoxyphenyl)acetamide
CID 17094710
2-(4-bromophenoxy)-N-(3-propoxyphenyl)acetamide
CID 17096693
N-[3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 17204545
N-(3-hexoxyphenyl)-2-(3-methylphenoxy)acetamide
CID 17094750
2-(2-bromo-4-methylphenoxy)-N-(3-heptoxyphenyl)acetamide
CID 17138101
N-(3-heptoxyphenyl)-2-(2-methylphenoxy)acetamide
CID 17138095
2-ethoxyethyl 3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]benzoate
CID 19171918
2-(3-pentoxyphenoxy)-N-phenylacetamide
CID 4733221
2-(4-bromo-3-methylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 1010190
N-(4-bromo-3-methylphenyl)-2-(3-methylphenoxy)acetamide;oxalic acid
CID 171154742
2-(3-ethylphenoxy)-N-(3-heptoxyphenyl)acetamide
CID 43912190

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenoxy)-N-(3-butoxyphenyl)acetamide?
The IUPAC name of 2-(4-bromo-3-methylphenoxy)-N-(3-butoxyphenyl)acetamide (CID 17095041) is 2-(4-bromo-3-methylphenoxy)-N-(3-butoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-3-methylphenoxy)-N-(3-butoxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-3-methylphenoxy)-N-(3-butoxyphenyl)acetamide is CCCCOc1cccc(NC(=O)COc2ccc(Br)c(C)c2)c1.
What is the InChIKey of 2-(4-bromo-3-methylphenoxy)-N-(3-butoxyphenyl)acetamide?
The InChIKey is QUCFMCCVWSZVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-3-4-10-23-16-7-5-6-15(12-16)21-19(22)13-24-17-8-9-18(20)14(2)11-17/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,21,22).
What are the key properties of 2-(4-bromo-3-methylphenoxy)-N-(3-butoxyphenyl)acetamide?
2-(4-bromo-3-methylphenoxy)-N-(3-butoxyphenyl)acetamide has a molecular weight of 392.29 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenoxy)-N-(3-butoxyphenyl)acetamide is sourced from PubChem (CID 17095041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).