2-(2-bromo-4-methylphenoxy)-N-[3-(3-phenylpropoxy)phenyl]acetamide

C24H24BrNO3 — CID 17133202

IUPAC2-(2-bromo-4-methylphenoxy)-N-[3-(3-phenylpropoxy)phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2cccc(OCCCc3ccccc3)c2)c(Br)c1
InChIInChI=1S/C24H24BrNO3/c1-18-12-13-23(22(25)15-18)29-17-24(27)26-20-10-5-11-21(16-20)28-14-6-9-19-7-3-2-4-8-19/h2-5,7-8,10-13,15-16H,6,9,14,17H2,1H3,(H,26,27)
InChIKeyFQSFKEXBFCXCAA-UHFFFAOYSA-N
MW454.36 g/mol
LogP5.79
Rot. Bonds9

About 2-(2-bromo-4-methylphenoxy)-N-[3-(3-phenylpropoxy)phenyl]acetamide

2-(2-bromo-4-methylphenoxy)-N-[3-(3-phenylpropoxy)phenyl]acetamide (PubChem CID 17133202) has the molecular formula C24H24BrNO3 and a molecular weight of 454.36 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-[3-(3-phenylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-[3-(3-phenylpropoxy)phenyl]acetamide
PubChem CID17133202
Molecular FormulaC24H24BrNO3
Molecular Weight454.36 g/mol
Exact Mass453.09
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-[3-(3-phenylpropoxy)phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2cccc(OCCCc3ccccc3)c2)c(Br)c1
InChIInChI=1S/C24H24BrNO3/c1-18-12-13-23(22(25)15-18)29-17-24(27)26-20-10-5-11-21(16-20)28-14-6-9-19-7-3-2-4-8-19/h2-5,7-8,10-13,15-16H,6,9,14,17H2,1H3,(H,26,27)
InChIKeyFQSFKEXBFCXCAA-UHFFFAOYSA-N
XLogP5.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.36
LogP ≤ 55.79
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-(2-bromo-4-methylphenoxy)-N-(3-heptoxyphenyl)acetamide
CID 17138101
2-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 1008619
2-(3-methylanilino)-N-[3-(3-phenylpropoxy)phenyl]acetamide
CID 54810854
2-(4-bromo-2-chlorophenoxy)-N-[3-(2-phenylethoxy)phenyl]acetamide
CID 17142159
2-(2,5-dimethylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 17123518
2-(2-bromo-4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130229
2-(2-bromo-4-phenylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169893
2-(2-bromo-4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 9372061
2-(3-methylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 17131381
4-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)butanamide
CID 19201641
2-(2-bromo-4-phenylphenoxy)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 17097332
3-bromo-4-[2-(3-methylanilino)-2-oxoethoxy]benzoic acid
CID 8707266

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[3-(3-phenylpropoxy)phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[3-(3-phenylpropoxy)phenyl]acetamide (CID 17133202) is 2-(2-bromo-4-methylphenoxy)-N-[3-(3-phenylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-[3-(3-phenylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-[3-(3-phenylpropoxy)phenyl]acetamide is Cc1ccc(OCC(=O)Nc2cccc(OCCCc3ccccc3)c2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-[3-(3-phenylpropoxy)phenyl]acetamide?
The InChIKey is FQSFKEXBFCXCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrNO3/c1-18-12-13-23(22(25)15-18)29-17-24(27)26-20-10-5-11-21(16-20)28-14-6-9-19-7-3-2-4-8-19/h2-5,7-8,10-13,15-16H,6,9,14,17H2,1H3,(H,26,27).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-[3-(3-phenylpropoxy)phenyl]acetamide?
2-(2-bromo-4-methylphenoxy)-N-[3-(3-phenylpropoxy)phenyl]acetamide has a molecular weight of 454.36 g/mol, XLogP of 5.79, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-[3-(3-phenylpropoxy)phenyl]acetamide is sourced from PubChem (CID 17133202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).