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

C15H13Br2FN2O — CID 42125828

IUPAC2-(4-bromo-2-fluoroanilino)-N-(2-bromo-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNc2ccc(Br)cc2F)c(Br)c1
InChIInChI=1S/C15H13Br2FN2O/c1-9-2-4-13(11(17)6-9)20-15(21)8-19-14-5-3-10(16)7-12(14)18/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeySOVCOVHBOAYYEY-UHFFFAOYSA-N
MW416.09 g/mol
LogP4.71
Rot. Bonds4

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

2-(4-bromo-2-fluoroanilino)-N-(2-bromo-4-methylphenyl)acetamide (PubChem CID 42125828) has the molecular formula C15H13Br2FN2O and a molecular weight of 416.09 g/mol. Its IUPAC name is 2-(4-bromo-2-fluoroanilino)-N-(2-bromo-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluoroanilino)-N-(2-bromo-4-methylphenyl)acetamide
PubChem CID42125828
Molecular FormulaC15H13Br2FN2O
Molecular Weight416.09 g/mol
Exact Mass413.94
IUPAC Name2-(4-bromo-2-fluoroanilino)-N-(2-bromo-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNc2ccc(Br)cc2F)c(Br)c1
InChIInChI=1S/C15H13Br2FN2O/c1-9-2-4-13(11(17)6-9)20-15(21)8-19-14-5-3-10(16)7-12(14)18/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeySOVCOVHBOAYYEY-UHFFFAOYSA-N
XLogP4.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.09
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-methylanilino)-N-(2-bromo-4-methylphenyl)acetamide
CID 9106742
2-(4-bromo-2-fluorophenoxy)-N-(2-bromo-4-methylphenyl)acetamide
CID 26524063
N-(2-bromo-4-methylphenyl)-2-(4-fluoroanilino)acetamide
CID 9098661
N-(2,4-dimethylphenyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 9100979
2-(3-acetamido-2-methylanilino)-N-(4-bromo-2-fluorophenyl)acetamide
CID 34067793
2-(3-bromoanilino)-N-(4-bromo-2-fluorophenyl)acetamide
CID 9080342
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
N-(4-bromo-2-fluorophenyl)-2-(propylamino)acetamide
CID 60648489
2-(2-bromo-4-methylanilino)-N-(2-methylphenyl)acetamide
CID 42070082
2-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 109011050
2-(2-bromo-4-methylanilino)-N-(3-fluorophenyl)acetamide
CID 42070161
N-(4-bromo-2-fluorophenyl)-2-(butan-2-ylamino)acetamide
CID 54917740

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluoroanilino)-N-(2-bromo-4-methylphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-fluoroanilino)-N-(2-bromo-4-methylphenyl)acetamide (CID 42125828) is 2-(4-bromo-2-fluoroanilino)-N-(2-bromo-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluoroanilino)-N-(2-bromo-4-methylphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-fluoroanilino)-N-(2-bromo-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CNc2ccc(Br)cc2F)c(Br)c1.
What is the InChIKey of 2-(4-bromo-2-fluoroanilino)-N-(2-bromo-4-methylphenyl)acetamide?
The InChIKey is SOVCOVHBOAYYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2FN2O/c1-9-2-4-13(11(17)6-9)20-15(21)8-19-14-5-3-10(16)7-12(14)18/h2-7,19H,8H2,1H3,(H,20,21).
What are the key properties of 2-(4-bromo-2-fluoroanilino)-N-(2-bromo-4-methylphenyl)acetamide?
2-(4-bromo-2-fluoroanilino)-N-(2-bromo-4-methylphenyl)acetamide has a molecular weight of 416.09 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluoroanilino)-N-(2-bromo-4-methylphenyl)acetamide is sourced from PubChem (CID 42125828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).