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

C15H14BrFN2O — CID 107590864

IUPAC2-(3-aminophenyl)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
SMILESCc1cc(F)c(Br)cc1NC(=O)Cc1cccc(N)c1
InChIInChI=1S/C15H14BrFN2O/c1-9-5-13(17)12(16)8-14(9)19-15(20)7-10-3-2-4-11(18)6-10/h2-6,8H,7,18H2,1H3,(H,19,20)
InChIKeyQFYVBWDTENQIOH-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.66
Rot. Bonds3

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

2-(3-aminophenyl)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide (PubChem CID 107590864) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
PubChem CID107590864
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name2-(3-aminophenyl)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
SMILESCc1cc(F)c(Br)cc1NC(=O)Cc1cccc(N)c1
InChIInChI=1S/C15H14BrFN2O/c1-9-5-13(17)12(16)8-14(9)19-15(20)7-10-3-2-4-11(18)6-10/h2-6,8H,7,18H2,1H3,(H,19,20)
InChIKeyQFYVBWDTENQIOH-UHFFFAOYSA-N
XLogP3.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-4-fluoro-2-methylphenyl)-2-(3-fluorophenyl)acetamide
CID 103274575
3-(3-aminophenyl)-N-(5-bromo-2,4-difluorophenyl)propanamide
CID 102852363
N-(5-amino-2,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide
CID 104757005
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
CID 107591747
2-(4-aminophenoxy)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
CID 107590797
N-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide
CID 107592352
4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide
CID 107592166
N-(4-bromo-2,5-difluorophenyl)-2-(3-fluorophenyl)acetamide
CID 103842716
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-fluorobenzamide
CID 107592257
7-amino-N-(5-bromo-4-fluoro-2-methylphenyl)heptanamide
CID 107592189
N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
CID 103274665
N-(4-amino-2,5-dimethylphenyl)-2-(3-methoxyphenyl)acetamide
CID 103144419

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide (CID 107590864) is 2-(3-aminophenyl)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide is Cc1cc(F)c(Br)cc1NC(=O)Cc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide?
The InChIKey is QFYVBWDTENQIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-9-5-13(17)12(16)8-14(9)19-15(20)7-10-3-2-4-11(18)6-10/h2-6,8H,7,18H2,1H3,(H,19,20).
What are the key properties of 2-(3-aminophenyl)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide?
2-(3-aminophenyl)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide has a molecular weight of 337.19 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 107590864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).