N-(2-amino-4-bromo-6-methylphenyl)-3-fluoro-4-methylbenzamide

C15H14BrFN2O — CID 43550039

IUPACN-(2-amino-4-bromo-6-methylphenyl)-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2c(C)cc(Br)cc2N)cc1F
InChIInChI=1S/C15H14BrFN2O/c1-8-3-4-10(6-12(8)17)15(20)19-14-9(2)5-11(16)7-13(14)18/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyACJAGXNQOPXCMW-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.04
Rot. Bonds2

About N-(2-amino-4-bromo-6-methylphenyl)-3-fluoro-4-methylbenzamide

N-(2-amino-4-bromo-6-methylphenyl)-3-fluoro-4-methylbenzamide (PubChem CID 43550039) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is N-(2-amino-4-bromo-6-methylphenyl)-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-4-bromo-6-methylphenyl)-3-fluoro-4-methylbenzamide
PubChem CID43550039
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC NameN-(2-amino-4-bromo-6-methylphenyl)-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2c(C)cc(Br)cc2N)cc1F
InChIInChI=1S/C15H14BrFN2O/c1-8-3-4-10(6-12(8)17)15(20)19-14-9(2)5-11(16)7-13(14)18/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyACJAGXNQOPXCMW-UHFFFAOYSA-N
XLogP4.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-amino-4-bromo-6-methylphenyl)-3-fluoro-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-6-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 81315291
N-(2-amino-4-bromo-6-methylphenyl)-4-methoxybenzamide
CID 43550066
N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzamide
CID 43549968
N-(2-amino-4-bromo-6-methylphenyl)-2-methylpyridine-4-carboxamide
CID 106752400
N-(2-amino-4-bromo-6-methylphenyl)-4-chloro-2-fluorobenzamide
CID 43549986
4-amino-3-methyl-N-(2,4,6-tribromophenyl)benzamide
CID 28991635
4-amino-N-(4-bromo-2,6-dimethylphenyl)-3-methoxybenzamide
CID 104782360
N-(2-amino-4-bromo-6-methylphenyl)-5-bromofuran-2-carboxamide
CID 43550021
N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzamide
CID 24691936
N-(2-amino-4-bromo-6-methylphenyl)-2,4-dichlorobenzamide
CID 43549936
4-amino-N-(2,6-dimethylphenyl)-3-fluorobenzamide
CID 55103404
N-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 115661442

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromo-6-methylphenyl)-3-fluoro-4-methylbenzamide?
The IUPAC name of N-(2-amino-4-bromo-6-methylphenyl)-3-fluoro-4-methylbenzamide (CID 43550039) is N-(2-amino-4-bromo-6-methylphenyl)-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(2-amino-4-bromo-6-methylphenyl)-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-(2-amino-4-bromo-6-methylphenyl)-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)Nc2c(C)cc(Br)cc2N)cc1F.
What is the InChIKey of N-(2-amino-4-bromo-6-methylphenyl)-3-fluoro-4-methylbenzamide?
The InChIKey is ACJAGXNQOPXCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-8-3-4-10(6-12(8)17)15(20)19-14-9(2)5-11(16)7-13(14)18/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of N-(2-amino-4-bromo-6-methylphenyl)-3-fluoro-4-methylbenzamide?
N-(2-amino-4-bromo-6-methylphenyl)-3-fluoro-4-methylbenzamide has a molecular weight of 337.19 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-bromo-6-methylphenyl)-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 43550039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).