N-(4-bromo-2-methylphenyl)-2-(4-fluoro-2-methylanilino)acetamide

C16H16BrFN2O — CID 2604424

IUPACN-(4-bromo-2-methylphenyl)-2-(4-fluoro-2-methylanilino)acetamide
SMILESCc1cc(F)ccc1NCC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C16H16BrFN2O/c1-10-7-12(17)3-5-15(10)20-16(21)9-19-14-6-4-13(18)8-11(14)2/h3-8,19H,9H2,1-2H3,(H,20,21)
InChIKeyLIOJYAGOGJOEBZ-UHFFFAOYSA-N
MW351.22 g/mol
LogP4.26
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-2-(4-fluoro-2-methylanilino)acetamide

N-(4-bromo-2-methylphenyl)-2-(4-fluoro-2-methylanilino)acetamide (PubChem CID 2604424) has the molecular formula C16H16BrFN2O and a molecular weight of 351.22 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(4-fluoro-2-methylanilino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(4-fluoro-2-methylanilino)acetamide
PubChem CID2604424
Molecular FormulaC16H16BrFN2O
Molecular Weight351.22 g/mol
Exact Mass350.04
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(4-fluoro-2-methylanilino)acetamide
SMILESCc1cc(F)ccc1NCC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C16H16BrFN2O/c1-10-7-12(17)3-5-15(10)20-16(21)9-19-14-6-4-13(18)8-11(14)2/h3-8,19H,9H2,1-2H3,(H,20,21)
InChIKeyLIOJYAGOGJOEBZ-UHFFFAOYSA-N
XLogP4.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(4-fluoro-2-methylanilino)acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(4-fluoro-2-methylanilino)acetamide (CID 2604424) is N-(4-bromo-2-methylphenyl)-2-(4-fluoro-2-methylanilino)acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(4-fluoro-2-methylanilino)acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(4-fluoro-2-methylanilino)acetamide is Cc1cc(F)ccc1NCC(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(4-fluoro-2-methylanilino)acetamide?
The InChIKey is LIOJYAGOGJOEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O/c1-10-7-12(17)3-5-15(10)20-16(21)9-19-14-6-4-13(18)8-11(14)2/h3-8,19H,9H2,1-2H3,(H,20,21).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(4-fluoro-2-methylanilino)acetamide?
N-(4-bromo-2-methylphenyl)-2-(4-fluoro-2-methylanilino)acetamide has a molecular weight of 351.22 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-(4-fluoro-2-methylanilino)acetamide is sourced from PubChem (CID 2604424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).