2-(3-bromo-5-fluorophenoxy)-N-(2-methylphenyl)acetamide

C15H13BrFNO2 — CID 80964387

IUPAC2-(3-bromo-5-fluorophenoxy)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)COc1cc(F)cc(Br)c1
InChIInChI=1S/C15H13BrFNO2/c1-10-4-2-3-5-14(10)18-15(19)9-20-13-7-11(16)6-12(17)8-13/h2-8H,9H2,1H3,(H,18,19)
InChIKeySRDXPTURIKWFHL-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.91
Rot. Bonds4

About 2-(3-bromo-5-fluorophenoxy)-N-(2-methylphenyl)acetamide

2-(3-bromo-5-fluorophenoxy)-N-(2-methylphenyl)acetamide (PubChem CID 80964387) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenoxy)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenoxy)-N-(2-methylphenyl)acetamide
PubChem CID80964387
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Name2-(3-bromo-5-fluorophenoxy)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)COc1cc(F)cc(Br)c1
InChIInChI=1S/C15H13BrFNO2/c1-10-4-2-3-5-14(10)18-15(19)9-20-13-7-11(16)6-12(17)8-13/h2-8H,9H2,1H3,(H,18,19)
InChIKeySRDXPTURIKWFHL-UHFFFAOYSA-N
XLogP3.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-amino-2-chlorophenyl)-2-(3-bromo-5-fluorophenoxy)acetamide
CID 81314203
2-(4-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 836156
N-(5-bromo-2-methylphenyl)-2-phenoxyacetamide
CID 43806384
N-(2-acetamidophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide
CID 1329159
N-(2-bromophenyl)-2-(3-fluoro-4-methylphenoxy)acetamide
CID 107171288
2-(4-amino-2-fluoro-5-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 114415878
2-(2-amino-4-fluorophenoxy)-N-(2-methylphenyl)acetamide
CID 62368683
2-[4-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 28561557
N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2787243
3-[2-(2-methylanilino)-2-oxoethoxy]benzoic acid
CID 3420785
2-(3-bromo-5-fluorophenoxy)-1-phenylethanone
CID 81332556
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 107698413

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenoxy)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(3-bromo-5-fluorophenoxy)-N-(2-methylphenyl)acetamide (CID 80964387) is 2-(3-bromo-5-fluorophenoxy)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-bromo-5-fluorophenoxy)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(3-bromo-5-fluorophenoxy)-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)COc1cc(F)cc(Br)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenoxy)-N-(2-methylphenyl)acetamide?
The InChIKey is SRDXPTURIKWFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c1-10-4-2-3-5-14(10)18-15(19)9-20-13-7-11(16)6-12(17)8-13/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 2-(3-bromo-5-fluorophenoxy)-N-(2-methylphenyl)acetamide?
2-(3-bromo-5-fluorophenoxy)-N-(2-methylphenyl)acetamide has a molecular weight of 338.18 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenoxy)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 80964387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).