N-(2-bromophenyl)-2-(3-fluoro-4-methylphenoxy)acetamide

C15H13BrFNO2 — CID 107171288

IUPACN-(2-bromophenyl)-2-(3-fluoro-4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccccc2Br)cc1F
InChIInChI=1S/C15H13BrFNO2/c1-10-6-7-11(8-13(10)17)20-9-15(19)18-14-5-3-2-4-12(14)16/h2-8H,9H2,1H3,(H,18,19)
InChIKeyJMLZTOYDPWUEDG-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.91
Rot. Bonds4

About N-(2-bromophenyl)-2-(3-fluoro-4-methylphenoxy)acetamide

N-(2-bromophenyl)-2-(3-fluoro-4-methylphenoxy)acetamide (PubChem CID 107171288) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(3-fluoro-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(3-fluoro-4-methylphenoxy)acetamide
PubChem CID107171288
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC NameN-(2-bromophenyl)-2-(3-fluoro-4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccccc2Br)cc1F
InChIInChI=1S/C15H13BrFNO2/c1-10-6-7-11(8-13(10)17)20-9-15(19)18-14-5-3-2-4-12(14)16/h2-8H,9H2,1H3,(H,18,19)
InChIKeyJMLZTOYDPWUEDG-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-(2-bromophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19180400
N-(2-bromophenyl)-2-(4-propoxyphenoxy)acetamide
CID 42989399
N-(2-bromophenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 2558535
N-(2-bromophenyl)-2-(4-phenylphenoxy)acetamide
CID 1193865
N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3249849
N-(2-bromophenyl)-2-(4-propylphenoxy)acetamide
CID 19180395
N-(2-bromophenyl)-2-(4-formylphenoxy)acetamide
CID 23410083
N-(3-amino-4-methylphenyl)-2-(3-fluoro-4-methylphenoxy)acetamide
CID 107168696
N-(2-bromophenyl)-2-quinolin-6-yloxyacetamide
CID 112978725
2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-bromophenyl)acetamide
CID 78930303
[2-(2-bromoanilino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 2594788
2-(4-bromo-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130878

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(3-fluoro-4-methylphenoxy)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(3-fluoro-4-methylphenoxy)acetamide (CID 107171288) is N-(2-bromophenyl)-2-(3-fluoro-4-methylphenoxy)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(3-fluoro-4-methylphenoxy)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(3-fluoro-4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2ccccc2Br)cc1F.
What is the InChIKey of N-(2-bromophenyl)-2-(3-fluoro-4-methylphenoxy)acetamide?
The InChIKey is JMLZTOYDPWUEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c1-10-6-7-11(8-13(10)17)20-9-15(19)18-14-5-3-2-4-12(14)16/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-(2-bromophenyl)-2-(3-fluoro-4-methylphenoxy)acetamide?
N-(2-bromophenyl)-2-(3-fluoro-4-methylphenoxy)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 N-(2-bromophenyl)-2-(3-fluoro-4-methylphenoxy)acetamide is sourced from PubChem (CID 107171288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).