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

C15H14BrFN2O — CID 28939357

IUPAC2-(2-bromo-4-fluoroanilino)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CNc1ccc(F)cc1Br
InChIInChI=1S/C15H14BrFN2O/c1-10-4-2-3-5-13(10)19-15(20)9-18-14-7-6-11(17)8-12(14)16/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyGWROFLDSWNUKNE-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.95
Rot. Bonds4

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

2-(2-bromo-4-fluoroanilino)-N-(2-methylphenyl)acetamide (PubChem CID 28939357) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is 2-(2-bromo-4-fluoroanilino)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluoroanilino)-N-(2-methylphenyl)acetamide
PubChem CID28939357
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name2-(2-bromo-4-fluoroanilino)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CNc1ccc(F)cc1Br
InChIInChI=1S/C15H14BrFN2O/c1-10-4-2-3-5-13(10)19-15(20)9-18-14-7-6-11(17)8-12(14)16/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyGWROFLDSWNUKNE-UHFFFAOYSA-N
XLogP3.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-methylanilino)-N-(2-methylphenyl)acetamide
CID 42070082
2-anilino-N-(2-bromo-4-fluorophenyl)acetamide
CID 60860763
2-(2-bromo-4-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 28939365
N-(2-bromophenyl)-2-(4-fluoro-2-iodoanilino)acetamide
CID 79768515
2-(2-bromo-4-fluoroanilino)-N-(4-chlorophenyl)acetamide
CID 28939364
2-(2-bromo-4-methylanilino)-N-(3-fluorophenyl)acetamide
CID 42070161
N-(2-bromo-4-fluorophenyl)propanamide
CID 28938564
2-(2,5-difluoroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 42069511
N-(2-ethoxyphenyl)-2-(5-fluoro-2-methylanilino)acetamide
CID 2516932
2-(2,6-difluoroanilino)-N-(2-methylphenyl)acetamide
CID 28879023
2-[(2-bromo-4-fluorophenyl)methyl-propylamino]-N-(2-methylphenyl)acetamide
CID 30794360
N-(2-bromophenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079697

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluoroanilino)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-fluoroanilino)-N-(2-methylphenyl)acetamide (CID 28939357) is 2-(2-bromo-4-fluoroanilino)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-fluoroanilino)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-fluoroanilino)-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CNc1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluoroanilino)-N-(2-methylphenyl)acetamide?
The InChIKey is GWROFLDSWNUKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-10-4-2-3-5-13(10)19-15(20)9-18-14-7-6-11(17)8-12(14)16/h2-8,18H,9H2,1H3,(H,19,20).
What are the key properties of 2-(2-bromo-4-fluoroanilino)-N-(2-methylphenyl)acetamide?
2-(2-bromo-4-fluoroanilino)-N-(2-methylphenyl)acetamide has a molecular weight of 337.19 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluoroanilino)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 28939357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).