2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-phenylphenyl)acetamide

C21H18BrNO3 — CID 7701761

IUPAC2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-phenylphenyl)acetamide
SMILESO=C(COc1ccc(Br)cc1CO)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H18BrNO3/c22-17-10-11-20(16(12-17)13-24)26-14-21(25)23-19-9-5-4-8-18(19)15-6-2-1-3-7-15/h1-12,24H,13-14H2,(H,23,25)
InChIKeyUQQSJCVZVLJCAQ-UHFFFAOYSA-N
MW412.28 g/mol
LogP4.63
Rot. Bonds6

About 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-phenylphenyl)acetamide

2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-phenylphenyl)acetamide (PubChem CID 7701761) has the molecular formula C21H18BrNO3 and a molecular weight of 412.28 g/mol. Its IUPAC name is 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-phenylphenyl)acetamide
PubChem CID7701761
Molecular FormulaC21H18BrNO3
Molecular Weight412.28 g/mol
Exact Mass411.05
IUPAC Name2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-phenylphenyl)acetamide
SMILESO=C(COc1ccc(Br)cc1CO)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H18BrNO3/c22-17-10-11-20(16(12-17)13-24)26-14-21(25)23-19-9-5-4-8-18(19)15-6-2-1-3-7-15/h1-12,24H,13-14H2,(H,23,25)
InChIKeyUQQSJCVZVLJCAQ-UHFFFAOYSA-N
XLogP4.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.28
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-N-(2-phenylphenyl)acetamide
CID 2234948
2-(4-bromo-2,5-dimethylphenoxy)-N-(2-phenylphenyl)acetamide
CID 2233417
N-(2-phenylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 7929959
2-[4-bromo-2-(hydroxymethyl)phenoxy]acetic acid
CID 894151
2-(2-cyanophenoxy)-N-(2-phenylphenyl)acetamide
CID 7696058
methyl 2-[2-oxo-2-(2-phenylanilino)ethoxy]benzoate
CID 7763998
N-(2-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1328492
N-(2-aminophenyl)-2-(2,4-dibromophenoxy)acetamide
CID 64720408
2-(4-bromo-2-fluorophenoxy)-N-(2-ethylphenyl)acetamide
CID 26036611
2-(2-bromo-4-chlorophenoxy)-N-[2-(hydroxymethyl)phenyl]acetamide
CID 1213643
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 107698413
2-(4-bromo-2-methylphenoxy)-N-naphthalen-1-ylacetamide
CID 1328520

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-phenylphenyl)acetamide (CID 7701761) is 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-phenylphenyl)acetamide is O=C(COc1ccc(Br)cc1CO)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-phenylphenyl)acetamide?
The InChIKey is UQQSJCVZVLJCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrNO3/c22-17-10-11-20(16(12-17)13-24)26-14-21(25)23-19-9-5-4-8-18(19)15-6-2-1-3-7-15/h1-12,24H,13-14H2,(H,23,25).
What are the key properties of 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-phenylphenyl)acetamide?
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-phenylphenyl)acetamide has a molecular weight of 412.28 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 7701761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).