N-(5-amino-2-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide

C15H14BrFN2O — CID 104814325

IUPACN-(5-amino-2-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(N)c(C)cc2Br)c(F)c1
InChIInChI=1S/C15H14BrFN2O/c1-8-3-4-10(12(17)5-8)15(20)19-14-7-13(18)9(2)6-11(14)16/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyGXLPXCNFGDAFPL-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.04
Rot. Bonds2

About N-(5-amino-2-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide

N-(5-amino-2-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide (PubChem CID 104814325) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is N-(5-amino-2-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-amino-2-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide
PubChem CID104814325
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC NameN-(5-amino-2-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(N)c(C)cc2Br)c(F)c1
InChIInChI=1S/C15H14BrFN2O/c1-8-3-4-10(12(17)5-8)15(20)19-14-7-13(18)9(2)6-11(14)16/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyGXLPXCNFGDAFPL-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-(5-amino-2-bromo-4-methylphenyl)-2-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-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide
CID 116813658
N-(2-bromo-5-methylphenyl)-2,4-difluorobenzamide
CID 82706445
4-bromo-N-(2-bromo-5-methylphenyl)-2-fluorobenzamide
CID 82707497
N-(4-amino-5-chloro-2-methylphenyl)-2-fluoro-4-methylbenzamide
CID 104667653
N-(2-bromo-4-methylphenyl)-2-fluoro-4-hydroxybenzamide
CID 107676274
N-(4-amino-2,5-dimethylphenyl)-2-bromo-4-methylbenzamide
CID 103144537
N-(3-amino-4-bromophenyl)-2-fluoro-5-methylbenzamide
CID 79767809
2-amino-N-(2-bromo-4-methylphenyl)-5-fluorobenzamide
CID 43245616
2-amino-N-(2-bromo-4-chlorophenyl)-5-methylbenzamide
CID 81262086
N-(5-amino-2-bromo-4-methylphenyl)-2-chloro-5-hydroxybenzamide
CID 106500146
N-(5-chloro-2-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 79770803
N-(3-bromo-5-methylphenyl)-2-fluoro-4-methylbenzamide
CID 107582986

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide?
The IUPAC name of N-(5-amino-2-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide (CID 104814325) is N-(5-amino-2-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(5-amino-2-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-(5-amino-2-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(N)c(C)cc2Br)c(F)c1.
What is the InChIKey of N-(5-amino-2-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide?
The InChIKey is GXLPXCNFGDAFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-8-3-4-10(12(17)5-8)15(20)19-14-7-13(18)9(2)6-11(14)16/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of N-(5-amino-2-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide?
N-(5-amino-2-bromo-4-methylphenyl)-2-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-(5-amino-2-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 104814325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).