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

C24H24BrNO3 — CID 19201692

IUPAC2-(2-bromo-4-propylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
SMILESCCCc1ccc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)c1
InChIInChI=1S/C24H24BrNO3/c1-2-6-18-9-14-23(22(25)15-18)29-17-24(27)26-20-10-12-21(13-11-20)28-16-19-7-4-3-5-8-19/h3-5,7-15H,2,6,16-17H2,1H3,(H,26,27)
InChIKeyCOXJRSSOACJGHA-UHFFFAOYSA-N
MW454.36 g/mol
LogP6.00
Rot. Bonds9

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

2-(2-bromo-4-propylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide (PubChem CID 19201692) has the molecular formula C24H24BrNO3 and a molecular weight of 454.36 g/mol. Its IUPAC name is 2-(2-bromo-4-propylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-propylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
PubChem CID19201692
Molecular FormulaC24H24BrNO3
Molecular Weight454.36 g/mol
Exact Mass453.09
IUPAC Name2-(2-bromo-4-propylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
SMILESCCCc1ccc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)c1
InChIInChI=1S/C24H24BrNO3/c1-2-6-18-9-14-23(22(25)15-18)29-17-24(27)26-20-10-12-21(13-11-20)28-16-19-7-4-3-5-8-19/h3-5,7-15H,2,6,16-17H2,1H3,(H,26,27)
InChIKeyCOXJRSSOACJGHA-UHFFFAOYSA-N
XLogP6.00
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 ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-propylphenoxy)-N-(4-butoxyphenyl)acetamide
CID 19201701
2-[[2-(2-bromo-4-propylphenoxy)acetyl]amino]benzoic acid
CID 53264106
2-(2-bromo-4-propylphenoxy)-N-(2-phenylethyl)acetamide
CID 19201978
2-(2,4-dibromophenoxy)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 17066936
N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231336
2-(2-methoxy-4-methylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 2095965
2-(2-bromo-4-ethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
CID 17130580
2-(2-bromo-4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130229
2-(3-ethoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 112977838
2-(2-formyl-4-methoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 8633989
2-(2-bromophenoxy)-N-(4-ethoxyphenyl)acetamide
CID 1183062
2-[2-bromo-4-[(4-bromoanilino)methyl]phenoxy]-N-phenylacetamide
CID 3910734

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-propylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-propylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide (CID 19201692) is 2-(2-bromo-4-propylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-propylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-propylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide is CCCc1ccc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-propylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is COXJRSSOACJGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrNO3/c1-2-6-18-9-14-23(22(25)15-18)29-17-24(27)26-20-10-12-21(13-11-20)28-16-19-7-4-3-5-8-19/h3-5,7-15H,2,6,16-17H2,1H3,(H,26,27).
What are the key properties of 2-(2-bromo-4-propylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide?
2-(2-bromo-4-propylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 454.36 g/mol, XLogP of 6.00, 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-propylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 19201692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).