2-(4-bromo-2-fluorophenoxy)-N-(3-methoxyphenyl)acetamide

C15H13BrFNO3 — CID 7500246

IUPAC2-(4-bromo-2-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)COc2ccc(Br)cc2F)c1
InChIInChI=1S/C15H13BrFNO3/c1-20-12-4-2-3-11(8-12)18-15(19)9-21-14-6-5-10(16)7-13(14)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyCRGISVLHUFMMSO-UHFFFAOYSA-N
MW354.18 g/mol
LogP3.61
Rot. Bonds5

About 2-(4-bromo-2-fluorophenoxy)-N-(3-methoxyphenyl)acetamide

2-(4-bromo-2-fluorophenoxy)-N-(3-methoxyphenyl)acetamide (PubChem CID 7500246) has the molecular formula C15H13BrFNO3 and a molecular weight of 354.18 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
PubChem CID7500246
Molecular FormulaC15H13BrFNO3
Molecular Weight354.18 g/mol
Exact Mass353.01
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)COc2ccc(Br)cc2F)c1
InChIInChI=1S/C15H13BrFNO3/c1-20-12-4-2-3-11(8-12)18-15(19)9-21-14-6-5-10(16)7-13(14)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyCRGISVLHUFMMSO-UHFFFAOYSA-N
XLogP3.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.18
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 1184414
2-(2-fluoro-4-nitrophenoxy)-N-(3-methoxyphenyl)acetamide
CID 46484655
2-(2-bromophenoxy)-N-(3-methoxyphenyl)acetamide
CID 729437
3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 32626849
2-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 1008619
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
2-(4-bromo-2-fluorophenoxy)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide
CID 39278809
2-(3-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 2709796
2-(4-bromo-2-methylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169811
2-(4-bromo-2-fluorophenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 29315593
2-(2-acetyl-4-chlorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 41021404
2-(2-bromo-4-methoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 104704640

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(3-methoxyphenyl)acetamide (CID 7500246) is 2-(4-bromo-2-fluorophenoxy)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)COc2ccc(Br)cc2F)c1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-(3-methoxyphenyl)acetamide?
The InChIKey is CRGISVLHUFMMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO3/c1-20-12-4-2-3-11(8-12)18-15(19)9-21-14-6-5-10(16)7-13(14)17/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-(3-methoxyphenyl)acetamide?
2-(4-bromo-2-fluorophenoxy)-N-(3-methoxyphenyl)acetamide has a molecular weight of 354.18 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 7500246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).