2-(2-bromo-4-propylphenoxy)-N-(4-butoxyphenyl)acetamide

C21H26BrNO3 — CID 19201701

IUPAC2-(2-bromo-4-propylphenoxy)-N-(4-butoxyphenyl)acetamide
SMILESCCCCOc1ccc(NC(=O)COc2ccc(CCC)cc2Br)cc1
InChIInChI=1S/C21H26BrNO3/c1-3-5-13-25-18-10-8-17(9-11-18)23-21(24)15-26-20-12-7-16(6-4-2)14-19(20)22/h7-12,14H,3-6,13,15H2,1-2H3,(H,23,24)
InChIKeyHMCXQLJAVGKTPK-UHFFFAOYSA-N
MW420.35 g/mol
LogP5.60
Rot. Bonds10

About 2-(2-bromo-4-propylphenoxy)-N-(4-butoxyphenyl)acetamide

2-(2-bromo-4-propylphenoxy)-N-(4-butoxyphenyl)acetamide (PubChem CID 19201701) has the molecular formula C21H26BrNO3 and a molecular weight of 420.35 g/mol. Its IUPAC name is 2-(2-bromo-4-propylphenoxy)-N-(4-butoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-propylphenoxy)-N-(4-butoxyphenyl)acetamide
PubChem CID19201701
Molecular FormulaC21H26BrNO3
Molecular Weight420.35 g/mol
Exact Mass419.11
IUPAC Name2-(2-bromo-4-propylphenoxy)-N-(4-butoxyphenyl)acetamide
SMILESCCCCOc1ccc(NC(=O)COc2ccc(CCC)cc2Br)cc1
InChIInChI=1S/C21H26BrNO3/c1-3-5-13-25-18-10-8-17(9-11-18)23-21(24)15-26-20-12-7-16(6-4-2)14-19(20)22/h7-12,14H,3-6,13,15H2,1-2H3,(H,23,24)
InChIKeyHMCXQLJAVGKTPK-UHFFFAOYSA-N
XLogP5.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.35
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-bromo-4-propylphenoxy)-N-(4-butoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromo-4-propylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 19201692
2-(2-bromo-4-ethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
CID 17130580
2-(2,4-dibromophenoxy)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 17066936
2-(2-bromo-4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130229
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide
CID 19201698
2-(2,4-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide
CID 19166514
N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 19220649
2-[[2-(2-bromo-4-propylphenoxy)acetyl]amino]benzoic acid
CID 53264106
2-(2-bromo-4-propylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 19202954
2-(4-bromo-2-tert-butylphenoxy)-N-(4-hexoxyphenyl)acetamide
CID 17051658
2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 17189592
2-[2-bromo-4-[(4-methylanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 5210106

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-propylphenoxy)-N-(4-butoxyphenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-propylphenoxy)-N-(4-butoxyphenyl)acetamide (CID 19201701) is 2-(2-bromo-4-propylphenoxy)-N-(4-butoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-propylphenoxy)-N-(4-butoxyphenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-propylphenoxy)-N-(4-butoxyphenyl)acetamide is CCCCOc1ccc(NC(=O)COc2ccc(CCC)cc2Br)cc1.
What is the InChIKey of 2-(2-bromo-4-propylphenoxy)-N-(4-butoxyphenyl)acetamide?
The InChIKey is HMCXQLJAVGKTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrNO3/c1-3-5-13-25-18-10-8-17(9-11-18)23-21(24)15-26-20-12-7-16(6-4-2)14-19(20)22/h7-12,14H,3-6,13,15H2,1-2H3,(H,23,24).
What are the key properties of 2-(2-bromo-4-propylphenoxy)-N-(4-butoxyphenyl)acetamide?
2-(2-bromo-4-propylphenoxy)-N-(4-butoxyphenyl)acetamide has a molecular weight of 420.35 g/mol, XLogP of 5.60, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-propylphenoxy)-N-(4-butoxyphenyl)acetamide is sourced from PubChem (CID 19201701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).