2-(5-bromo-4-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide

C15H13BrF2N2O — CID 107592105

IUPAC2-(5-bromo-4-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide
SMILESCc1cc(F)c(Br)cc1NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H13BrF2N2O/c1-9-6-13(18)12(16)7-14(9)19-8-15(21)20-11-4-2-10(17)3-5-11/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyZYRGSZFENZVZBJ-UHFFFAOYSA-N
MW355.18 g/mol
LogP4.09
Rot. Bonds4

About 2-(5-bromo-4-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide

2-(5-bromo-4-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide (PubChem CID 107592105) has the molecular formula C15H13BrF2N2O and a molecular weight of 355.18 g/mol. Its IUPAC name is 2-(5-bromo-4-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-4-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide
PubChem CID107592105
Molecular FormulaC15H13BrF2N2O
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC Name2-(5-bromo-4-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide
SMILESCc1cc(F)c(Br)cc1NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H13BrF2N2O/c1-9-6-13(18)12(16)7-14(9)19-8-15(21)20-11-4-2-10(17)3-5-11/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyZYRGSZFENZVZBJ-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

Analyze 2-(5-bromo-4-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-bromo-4-fluoro-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 107592106
2-(5-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide
CID 9099732
N-(3-bromo-4-methylphenyl)-2-(2,4-difluoroanilino)acetamide
CID 109009001
2-(4-bromo-2,5-difluoroanilino)-N-phenylacetamide
CID 103843092
2-(5-bromo-4-fluoro-2-methylanilino)-N-(methylcarbamoyl)acetamide
CID 99831900
2-(2,6-dibromo-4-methylanilino)-N-(4-fluorophenyl)acetamide
CID 28991479
N-(4-acetamidophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109010043
2-(2-bromo-4-fluoroanilino)-N-(4-chlorophenyl)acetamide
CID 28939364
2-(2-bromo-4-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 28939365
2-(4-bromo-2,5-difluoroanilino)-N-(3-methylphenyl)acetamide
CID 103843058
N-(4-tert-butylphenyl)-2-(2,4-difluoroanilino)acetamide
CID 109008349
N-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide
CID 107592352

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(5-bromo-4-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide (CID 107592105) is 2-(5-bromo-4-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(5-bromo-4-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(5-bromo-4-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide is Cc1cc(F)c(Br)cc1NCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-(5-bromo-4-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide?
The InChIKey is ZYRGSZFENZVZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2N2O/c1-9-6-13(18)12(16)7-14(9)19-8-15(21)20-11-4-2-10(17)3-5-11/h2-7,19H,8H2,1H3,(H,20,21).
What are the key properties of 2-(5-bromo-4-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide?
2-(5-bromo-4-fluoro-2-methylanilino)-N-(4-fluorophenyl)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 2-(5-bromo-4-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 107592105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).