2-(2-bromo-4-phenylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide

C25H24BrNO4 — CID 17170263

IUPAC2-(2-bromo-4-phenylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1Br)Nc1ccccc1OCC1CCCO1
InChIInChI=1S/C25H24BrNO4/c26-21-15-19(18-7-2-1-3-8-18)12-13-23(21)31-17-25(28)27-22-10-4-5-11-24(22)30-16-20-9-6-14-29-20/h1-5,7-8,10-13,15,20H,6,9,14,16-17H2,(H,27,28)
InChIKeyAWZJLCGQCJYHBR-UHFFFAOYSA-N
MW482.37 g/mol
LogP5.69
Rot. Bonds8

About 2-(2-bromo-4-phenylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide

2-(2-bromo-4-phenylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide (PubChem CID 17170263) has the molecular formula C25H24BrNO4 and a molecular weight of 482.37 g/mol. Its IUPAC name is 2-(2-bromo-4-phenylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-phenylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
PubChem CID17170263
Molecular FormulaC25H24BrNO4
Molecular Weight482.37 g/mol
Exact Mass481.09
IUPAC Name2-(2-bromo-4-phenylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1Br)Nc1ccccc1OCC1CCCO1
InChIInChI=1S/C25H24BrNO4/c26-21-15-19(18-7-2-1-3-8-18)12-13-23(21)31-17-25(28)27-22-10-4-5-11-24(22)30-16-20-9-6-14-29-20/h1-5,7-8,10-13,15,20H,6,9,14,16-17H2,(H,27,28)
InChIKeyAWZJLCGQCJYHBR-UHFFFAOYSA-N
XLogP5.69
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.37
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dibromo-6-methylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 17170194
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
2-(2-bromo-4-phenylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide
CID 17098032
2-(2-bromo-4-phenylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130961
2-(2-bromo-4-phenylphenoxy)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 17113280
2-(4-methoxyphenoxy)-N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 41386279
2-(2-bromo-4-phenylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 17131486
2-(2-bromo-4-phenylphenoxy)-N-(2-fluorophenyl)acetamide
CID 4960694
N-[2-(oxolan-2-ylmethoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 17170147
3-bromo-4-(oxolan-2-ylmethoxy)-N-phenylbenzamide
CID 17131651
2-(3-bromoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54840337
2-amino-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide
CID 119302622

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide (CID 17170263) is 2-(2-bromo-4-phenylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-phenylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-phenylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide is O=C(COc1ccc(-c2ccccc2)cc1Br)Nc1ccccc1OCC1CCCO1.
What is the InChIKey of 2-(2-bromo-4-phenylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide?
The InChIKey is AWZJLCGQCJYHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrNO4/c26-21-15-19(18-7-2-1-3-8-18)12-13-23(21)31-17-25(28)27-22-10-4-5-11-24(22)30-16-20-9-6-14-29-20/h1-5,7-8,10-13,15,20H,6,9,14,16-17H2,(H,27,28).
What are the key properties of 2-(2-bromo-4-phenylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide?
2-(2-bromo-4-phenylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide has a molecular weight of 482.37 g/mol, XLogP of 5.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-phenylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 17170263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).