2-(5-bromo-4-fluoro-2-methylanilino)-N-(3-methylphenyl)acetamide

C16H16BrFN2O — CID 107592106

IUPAC2-(5-bromo-4-fluoro-2-methylanilino)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNc2cc(Br)c(F)cc2C)c1
InChIInChI=1S/C16H16BrFN2O/c1-10-4-3-5-12(6-10)20-16(21)9-19-15-8-13(17)14(18)7-11(15)2/h3-8,19H,9H2,1-2H3,(H,20,21)
InChIKeyNMYUDRKULXAOSC-UHFFFAOYSA-N
MW351.22 g/mol
LogP4.26
Rot. Bonds4

About 2-(5-bromo-4-fluoro-2-methylanilino)-N-(3-methylphenyl)acetamide

2-(5-bromo-4-fluoro-2-methylanilino)-N-(3-methylphenyl)acetamide (PubChem CID 107592106) has the molecular formula C16H16BrFN2O and a molecular weight of 351.22 g/mol. Its IUPAC name is 2-(5-bromo-4-fluoro-2-methylanilino)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-4-fluoro-2-methylanilino)-N-(3-methylphenyl)acetamide
PubChem CID107592106
Molecular FormulaC16H16BrFN2O
Molecular Weight351.22 g/mol
Exact Mass350.04
IUPAC Name2-(5-bromo-4-fluoro-2-methylanilino)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNc2cc(Br)c(F)cc2C)c1
InChIInChI=1S/C16H16BrFN2O/c1-10-4-3-5-12(6-10)20-16(21)9-19-15-8-13(17)14(18)7-11(15)2/h3-8,19H,9H2,1-2H3,(H,20,21)
InChIKeyNMYUDRKULXAOSC-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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Related Compounds

2-(4-bromo-2,5-difluoroanilino)-N-(3-methylphenyl)acetamide
CID 103843058
2-(5-bromo-4-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide
CID 107592105
2-(4-bromo-2,5-difluoroanilino)-N-phenylacetamide
CID 103843092
N-(3-bromophenyl)-2-(2,5-difluoro-4-methylanilino)acetamide
CID 103585627
2-(4-methoxy-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 62872071
2-(2-bromo-4-methylanilino)-N-(3-fluorophenyl)acetamide
CID 42070161
2-(5-bromo-4-fluoro-2-methylanilino)-N-(methylcarbamoyl)acetamide
CID 99831900
2-(5-cyano-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 62060345
2-(2,5-dimethylanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9079711
2-(4-chloro-2-methylanilino)-N-(3-fluorophenyl)acetamide
CID 26507132
2-(3,5-dichloro-4-fluoroanilino)-N-(3-methylphenyl)acetamide
CID 107574072
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-(3-methylphenyl)acetamide?
The IUPAC name of 2-(5-bromo-4-fluoro-2-methylanilino)-N-(3-methylphenyl)acetamide (CID 107592106) is 2-(5-bromo-4-fluoro-2-methylanilino)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(5-bromo-4-fluoro-2-methylanilino)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(5-bromo-4-fluoro-2-methylanilino)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CNc2cc(Br)c(F)cc2C)c1.
What is the InChIKey of 2-(5-bromo-4-fluoro-2-methylanilino)-N-(3-methylphenyl)acetamide?
The InChIKey is NMYUDRKULXAOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O/c1-10-4-3-5-12(6-10)20-16(21)9-19-15-8-13(17)14(18)7-11(15)2/h3-8,19H,9H2,1-2H3,(H,20,21).
What are the key properties of 2-(5-bromo-4-fluoro-2-methylanilino)-N-(3-methylphenyl)acetamide?
2-(5-bromo-4-fluoro-2-methylanilino)-N-(3-methylphenyl)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 2-(5-bromo-4-fluoro-2-methylanilino)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 107592106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).