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

C29H26BrNO3 — CID 17130229

IUPAC2-(2-bromo-4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1Br)Nc1ccc(OCCCc2ccccc2)cc1
InChIInChI=1S/C29H26BrNO3/c30-27-20-24(23-11-5-2-6-12-23)13-18-28(27)34-21-29(32)31-25-14-16-26(17-15-25)33-19-7-10-22-8-3-1-4-9-22/h1-6,8-9,11-18,20H,7,10,19,21H2,(H,31,32)
InChIKeySLDUDWBBDLXPEK-UHFFFAOYSA-N
MW516.44 g/mol
LogP7.15
Rot. Bonds10

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

2-(2-bromo-4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide (PubChem CID 17130229) has the molecular formula C29H26BrNO3 and a molecular weight of 516.44 g/mol. Its IUPAC name is 2-(2-bromo-4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide
PubChem CID17130229
Molecular FormulaC29H26BrNO3
Molecular Weight516.44 g/mol
Exact Mass515.11
IUPAC Name2-(2-bromo-4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1Br)Nc1ccc(OCCCc2ccccc2)cc1
InChIInChI=1S/C29H26BrNO3/c30-27-20-24(23-11-5-2-6-12-23)13-18-28(27)34-21-29(32)31-25-14-16-26(17-15-25)33-19-7-10-22-8-3-1-4-9-22/h1-6,8-9,11-18,20H,7,10,19,21H2,(H,31,32)
InChIKeySLDUDWBBDLXPEK-UHFFFAOYSA-N
XLogP7.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.44
LogP ≤ 57.15
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-phenylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 17340502
2-(2-bromo-4-phenylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 17131486
2-(2,4-dibromophenoxy)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 17066936
2-(2-bromo-4-phenylphenoxy)-N-(4-chlorophenyl)acetamide
CID 4960591
N-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235437
N-[3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231401
N-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-3-methylbutanamide
CID 17194079
2-(2-bromo-4-methylphenoxy)-N-[3-(3-phenylpropoxy)phenyl]acetamide
CID 17133202
2-(2-bromo-4-phenylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130961
2-(2-bromo-4-phenylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169893
2-(2-bromo-4-propylphenoxy)-N-(4-butoxyphenyl)acetamide
CID 19201701
2-(2,3-dimethylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130266

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide (CID 17130229) is 2-(2-bromo-4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide is O=C(COc1ccc(-c2ccccc2)cc1Br)Nc1ccc(OCCCc2ccccc2)cc1.
What is the InChIKey of 2-(2-bromo-4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide?
The InChIKey is SLDUDWBBDLXPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26BrNO3/c30-27-20-24(23-11-5-2-6-12-23)13-18-28(27)34-21-29(32)31-25-14-16-26(17-15-25)33-19-7-10-22-8-3-1-4-9-22/h1-6,8-9,11-18,20H,7,10,19,21H2,(H,31,32).
What are the key properties of 2-(2-bromo-4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide?
2-(2-bromo-4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide has a molecular weight of 516.44 g/mol, XLogP of 7.15, 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-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide is sourced from PubChem (CID 17130229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).