N-(2-amino-6-bromo-4-methylphenyl)-2,4,6-trifluorobenzamide

C14H10BrF3N2O — CID 116813509

IUPACN-(2-amino-6-bromo-4-methylphenyl)-2,4,6-trifluorobenzamide
SMILESCc1cc(N)c(NC(=O)c2c(F)cc(F)cc2F)c(Br)c1
InChIInChI=1S/C14H10BrF3N2O/c1-6-2-8(15)13(11(19)3-6)20-14(21)12-9(17)4-7(16)5-10(12)18/h2-5H,19H2,1H3,(H,20,21)
InChIKeyFMLSXBUJXWICOJ-UHFFFAOYSA-N
MW359.15 g/mol
LogP4.01
Rot. Bonds2

About N-(2-amino-6-bromo-4-methylphenyl)-2,4,6-trifluorobenzamide

N-(2-amino-6-bromo-4-methylphenyl)-2,4,6-trifluorobenzamide (PubChem CID 116813509) has the molecular formula C14H10BrF3N2O and a molecular weight of 359.15 g/mol. Its IUPAC name is N-(2-amino-6-bromo-4-methylphenyl)-2,4,6-trifluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-6-bromo-4-methylphenyl)-2,4,6-trifluorobenzamide
PubChem CID116813509
Molecular FormulaC14H10BrF3N2O
Molecular Weight359.15 g/mol
Exact Mass357.99
IUPAC NameN-(2-amino-6-bromo-4-methylphenyl)-2,4,6-trifluorobenzamide
SMILESCc1cc(N)c(NC(=O)c2c(F)cc(F)cc2F)c(Br)c1
InChIInChI=1S/C14H10BrF3N2O/c1-6-2-8(15)13(11(19)3-6)20-14(21)12-9(17)4-7(16)5-10(12)18/h2-5H,19H2,1H3,(H,20,21)
InChIKeyFMLSXBUJXWICOJ-UHFFFAOYSA-N
XLogP4.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.15
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-amino-6-bromo-4-methylphenyl)-2,4,6-trifluorobenzamide 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-(2,6-dibromo-4-methylphenyl)-2,6-difluorobenzamide
CID 4116047
N-(2-amino-6-bromo-4-methylphenyl)-5-fluoropyridine-2-carboxamide
CID 116813696
N-(2-amino-6-bromo-4-methylphenyl)-2-chloro-4-fluorobenzamide
CID 116813593
5-amino-2-bromo-N-(2,6-dibromo-4-methylphenyl)-4-fluorobenzamide
CID 62815412
N-(3-amino-4-bromophenyl)-2,4,6-trifluorobenzamide
CID 79767572
3-amino-N-(2,6-dibromo-4-methylphenyl)-5-fluoro-4-methylbenzamide
CID 60861695
3-amino-N-(2-bromo-4,6-dimethylphenyl)-2,5-difluorobenzamide
CID 107121286
N-(2-amino-6-bromo-4-methylphenyl)-5-methylpyridine-3-carboxamide
CID 116813683
N-(2-amino-6-bromo-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 116813489
N-(2-amino-6-bromo-4-methylphenyl)-3-hydroxy-2-methylbenzamide
CID 116813418
3-amino-N-(2-bromo-4,6-difluorophenyl)-5-fluoro-4-methylbenzamide
CID 60862529

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-2,4,6-trifluorobenzamide?
The IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-2,4,6-trifluorobenzamide (CID 116813509) is N-(2-amino-6-bromo-4-methylphenyl)-2,4,6-trifluorobenzamide.
What is the SMILES notation for N-(2-amino-6-bromo-4-methylphenyl)-2,4,6-trifluorobenzamide?
The canonical SMILES for N-(2-amino-6-bromo-4-methylphenyl)-2,4,6-trifluorobenzamide is Cc1cc(N)c(NC(=O)c2c(F)cc(F)cc2F)c(Br)c1.
What is the InChIKey of N-(2-amino-6-bromo-4-methylphenyl)-2,4,6-trifluorobenzamide?
The InChIKey is FMLSXBUJXWICOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3N2O/c1-6-2-8(15)13(11(19)3-6)20-14(21)12-9(17)4-7(16)5-10(12)18/h2-5H,19H2,1H3,(H,20,21).
What are the key properties of N-(2-amino-6-bromo-4-methylphenyl)-2,4,6-trifluorobenzamide?
N-(2-amino-6-bromo-4-methylphenyl)-2,4,6-trifluorobenzamide has a molecular weight of 359.15 g/mol, XLogP of 4.01, 2 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)-2,4,6-trifluorobenzamide is sourced from PubChem (CID 116813509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).