2-(4-bromo-3-methylphenyl)-2-(4-fluoroanilino)acetamide

C15H14BrFN2O — CID 66480971

IUPAC2-(4-bromo-3-methylphenyl)-2-(4-fluoroanilino)acetamide
SMILESCc1cc(C(Nc2ccc(F)cc2)C(N)=O)ccc1Br
InChIInChI=1S/C15H14BrFN2O/c1-9-8-10(2-7-13(9)16)14(15(18)20)19-12-5-3-11(17)4-6-12/h2-8,14,19H,1H3,(H2,18,20)
InChIKeyLWUZHZQNKRNHCZ-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.54
Rot. Bonds4

About 2-(4-bromo-3-methylphenyl)-2-(4-fluoroanilino)acetamide

2-(4-bromo-3-methylphenyl)-2-(4-fluoroanilino)acetamide (PubChem CID 66480971) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenyl)-2-(4-fluoroanilino)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenyl)-2-(4-fluoroanilino)acetamide
PubChem CID66480971
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name2-(4-bromo-3-methylphenyl)-2-(4-fluoroanilino)acetamide
SMILESCc1cc(C(Nc2ccc(F)cc2)C(N)=O)ccc1Br
InChIInChI=1S/C15H14BrFN2O/c1-9-8-10(2-7-13(9)16)14(15(18)20)19-12-5-3-11(17)4-6-12/h2-8,14,19H,1H3,(H2,18,20)
InChIKeyLWUZHZQNKRNHCZ-UHFFFAOYSA-N
XLogP3.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoroanilino)-2-(3-fluoro-4-methylphenyl)acetamide
CID 63649606
(2R)-2-(4-fluorophenyl)-2-(4-methylanilino)acetamide
CID 93381369
2-(4-bromo-3-fluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide
CID 81431305
2-(4-bromo-5-methylthiophen-2-yl)-2-(4-fluoroanilino)acetamide
CID 102840245
2-(4-bromoanilino)-2-(4-methoxy-3-methylphenyl)acetamide
CID 62131360
2-(4-fluoroanilino)-2-(3-hydroxyphenyl)acetamide
CID 54892208
2-(3,5-dichlorophenyl)-2-(4-fluoroanilino)acetamide
CID 61005627
2-(5-bromo-2-fluorophenyl)-2-(4-fluoroanilino)acetamide
CID 61004958
2-(4-bromo-3-fluorophenyl)-2-(3-fluoroanilino)acetamide
CID 81437584
2-(3-bromo-4-chloroanilino)-2-(3,5-difluorophenyl)acetamide
CID 106528880
2-(3-fluoro-4-hydroxyphenyl)-2-(4-methylanilino)acetamide
CID 107686167
methyl 2-(3-bromo-4-chlorophenyl)-2-(4-fluoroanilino)acetate
CID 83233258

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenyl)-2-(4-fluoroanilino)acetamide?
The IUPAC name of 2-(4-bromo-3-methylphenyl)-2-(4-fluoroanilino)acetamide (CID 66480971) is 2-(4-bromo-3-methylphenyl)-2-(4-fluoroanilino)acetamide.
What is the SMILES notation for 2-(4-bromo-3-methylphenyl)-2-(4-fluoroanilino)acetamide?
The canonical SMILES for 2-(4-bromo-3-methylphenyl)-2-(4-fluoroanilino)acetamide is Cc1cc(C(Nc2ccc(F)cc2)C(N)=O)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylphenyl)-2-(4-fluoroanilino)acetamide?
The InChIKey is LWUZHZQNKRNHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-9-8-10(2-7-13(9)16)14(15(18)20)19-12-5-3-11(17)4-6-12/h2-8,14,19H,1H3,(H2,18,20).
What are the key properties of 2-(4-bromo-3-methylphenyl)-2-(4-fluoroanilino)acetamide?
2-(4-bromo-3-methylphenyl)-2-(4-fluoroanilino)acetamide has a molecular weight of 337.19 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenyl)-2-(4-fluoroanilino)acetamide is sourced from PubChem (CID 66480971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).