N-(3-bromo-4-methylphenyl)-2-(2,4-difluoroanilino)acetamide

C15H13BrF2N2O — CID 109009001

IUPACN-(3-bromo-4-methylphenyl)-2-(2,4-difluoroanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2ccc(F)cc2F)cc1Br
InChIInChI=1S/C15H13BrF2N2O/c1-9-2-4-11(7-12(9)16)20-15(21)8-19-14-5-3-10(17)6-13(14)18/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyPJYAIUDWZUBPKI-UHFFFAOYSA-N
MW355.18 g/mol
LogP4.09
Rot. Bonds4

About N-(3-bromo-4-methylphenyl)-2-(2,4-difluoroanilino)acetamide

N-(3-bromo-4-methylphenyl)-2-(2,4-difluoroanilino)acetamide (PubChem CID 109009001) has the molecular formula C15H13BrF2N2O and a molecular weight of 355.18 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-(2,4-difluoroanilino)acetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-(2,4-difluoroanilino)acetamide
PubChem CID109009001
Molecular FormulaC15H13BrF2N2O
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC NameN-(3-bromo-4-methylphenyl)-2-(2,4-difluoroanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2ccc(F)cc2F)cc1Br
InChIInChI=1S/C15H13BrF2N2O/c1-9-2-4-11(7-12(9)16)20-15(21)8-19-14-5-3-10(17)6-13(14)18/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyPJYAIUDWZUBPKI-UHFFFAOYSA-N
XLogP4.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109010043
N-(4-tert-butylphenyl)-2-(2,4-difluoroanilino)acetamide
CID 109008349
2-(5-bromo-4-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide
CID 107592105
2-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 109011050
2-(5-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide
CID 9099732
2-(4-bromoanilino)-N-(3-bromo-4-methylphenyl)acetamide
CID 109008915
N-[2-(3-bromo-4-methylanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 112998503
2-(2-bromo-4-fluoroanilino)-N-(4-chlorophenyl)acetamide
CID 28939364
2-(2-bromo-4-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 28939365
[2-(3-bromo-4-methylanilino)-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9253050
N-(2,4-difluorophenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 16580967
N-(3-cyanophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109011066

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-(2,4-difluoroanilino)acetamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-(2,4-difluoroanilino)acetamide (CID 109009001) is N-(3-bromo-4-methylphenyl)-2-(2,4-difluoroanilino)acetamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-(2,4-difluoroanilino)acetamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-(2,4-difluoroanilino)acetamide is Cc1ccc(NC(=O)CNc2ccc(F)cc2F)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-(2,4-difluoroanilino)acetamide?
The InChIKey is PJYAIUDWZUBPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2N2O/c1-9-2-4-11(7-12(9)16)20-15(21)8-19-14-5-3-10(17)6-13(14)18/h2-7,19H,8H2,1H3,(H,20,21).
What are the key properties of N-(3-bromo-4-methylphenyl)-2-(2,4-difluoroanilino)acetamide?
N-(3-bromo-4-methylphenyl)-2-(2,4-difluoroanilino)acetamide has a molecular weight of 355.18 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-2-(2,4-difluoroanilino)acetamide is sourced from PubChem (CID 109009001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).