N-(2-amino-6-bromo-4-methylphenyl)-2-(3-fluorophenyl)acetamide

C15H14BrFN2O — CID 116813640

IUPACN-(2-amino-6-bromo-4-methylphenyl)-2-(3-fluorophenyl)acetamide
SMILESCc1cc(N)c(NC(=O)Cc2cccc(F)c2)c(Br)c1
InChIInChI=1S/C15H14BrFN2O/c1-9-5-12(16)15(13(18)6-9)19-14(20)8-10-3-2-4-11(17)7-10/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyJYKXGTRDYWCTBB-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.66
Rot. Bonds3

About N-(2-amino-6-bromo-4-methylphenyl)-2-(3-fluorophenyl)acetamide

N-(2-amino-6-bromo-4-methylphenyl)-2-(3-fluorophenyl)acetamide (PubChem CID 116813640) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is N-(2-amino-6-bromo-4-methylphenyl)-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-6-bromo-4-methylphenyl)-2-(3-fluorophenyl)acetamide
PubChem CID116813640
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC NameN-(2-amino-6-bromo-4-methylphenyl)-2-(3-fluorophenyl)acetamide
SMILESCc1cc(N)c(NC(=O)Cc2cccc(F)c2)c(Br)c1
InChIInChI=1S/C15H14BrFN2O/c1-9-5-12(16)15(13(18)6-9)19-14(20)8-10-3-2-4-11(17)7-10/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyJYKXGTRDYWCTBB-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-(2-amino-6-bromo-4-methylphenyl)-2-(3,4-dichlorophenyl)acetamide
CID 116813505
N-(2-amino-4-methylphenyl)-2-(3-fluorophenyl)acetamide
CID 43259058
N-(2-amino-6-bromo-4-methylphenyl)-2-thiophen-2-ylacetamide
CID 116813427
N-(5-amino-2,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide
CID 104757005
N-(5-bromo-4-fluoro-2-methylphenyl)-2-(3-fluorophenyl)acetamide
CID 103274575
N-(2-amino-6-bromo-4-methylphenyl)-2-methylsulfanylacetamide
CID 116813465
N-(3-amino-4-ethylphenyl)-2-(3-fluorophenyl)acetamide
CID 43550262
N-(2,6-dichlorophenyl)-2-(3-fluorophenyl)acetamide
CID 92647585
methyl 4-bromo-3-[[2-(3-fluorophenyl)acetyl]amino]thiophene-2-carboxylate
CID 176893696
N-(5-bromo-2-methylphenyl)-2-(3-fluorophenyl)acetamide
CID 43806426
N-(2-amino-6-bromo-4-methylphenyl)-2-chloro-4-fluorobenzamide
CID 116813593
N-(3-fluoro-5-methylphenyl)-2-(3-hydroxyphenyl)acetamide
CID 79049813

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-2-(3-fluorophenyl)acetamide (CID 116813640) is N-(2-amino-6-bromo-4-methylphenyl)-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-(2-amino-6-bromo-4-methylphenyl)-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-(2-amino-6-bromo-4-methylphenyl)-2-(3-fluorophenyl)acetamide is Cc1cc(N)c(NC(=O)Cc2cccc(F)c2)c(Br)c1.
What is the InChIKey of N-(2-amino-6-bromo-4-methylphenyl)-2-(3-fluorophenyl)acetamide?
The InChIKey is JYKXGTRDYWCTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-9-5-12(16)15(13(18)6-9)19-14(20)8-10-3-2-4-11(17)7-10/h2-7H,8,18H2,1H3,(H,19,20).
What are the key properties of N-(2-amino-6-bromo-4-methylphenyl)-2-(3-fluorophenyl)acetamide?
N-(2-amino-6-bromo-4-methylphenyl)-2-(3-fluorophenyl)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 N-(2-amino-6-bromo-4-methylphenyl)-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 116813640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).