2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-fluorobenzamide

C14H11BrF2N2O — CID 107592257

IUPAC2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-fluorobenzamide
SMILESCc1cc(F)c(Br)cc1NC(=O)c1cccc(F)c1N
InChIInChI=1S/C14H11BrF2N2O/c1-7-5-11(17)9(15)6-12(7)19-14(20)8-3-2-4-10(16)13(8)18/h2-6H,18H2,1H3,(H,19,20)
InChIKeyLLCNASVUDXGQIS-UHFFFAOYSA-N
MW341.16 g/mol
LogP3.87
Rot. Bonds2

About 2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-fluorobenzamide

2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-fluorobenzamide (PubChem CID 107592257) has the molecular formula C14H11BrF2N2O and a molecular weight of 341.16 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-fluorobenzamide
PubChem CID107592257
Molecular FormulaC14H11BrF2N2O
Molecular Weight341.16 g/mol
Exact Mass340.00
IUPAC Name2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-fluorobenzamide
SMILESCc1cc(F)c(Br)cc1NC(=O)c1cccc(F)c1N
InChIInChI=1S/C14H11BrF2N2O/c1-7-5-11(17)9(15)6-12(7)19-14(20)8-3-2-4-10(16)13(8)18/h2-6H,18H2,1H3,(H,19,20)
InChIKeyLLCNASVUDXGQIS-UHFFFAOYSA-N
XLogP3.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 53.87
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

2-amino-N-(2-bromo-4-methylphenyl)-3-fluorobenzamide
CID 62649187
N-(5-bromo-4-fluoro-2-methylphenyl)-2-hydroxy-3-methoxybenzamide
CID 103278127
2-amino-N-(2-bromo-4-chlorophenyl)-3-fluorobenzamide
CID 81275442
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloro-6-fluorobenzamide
CID 103274912
N-(5-bromo-4-fluoro-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 103274644
2-amino-N-(3,5-dimethylphenyl)-3-fluorobenzamide
CID 62649761
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloropyridine-3-carboxamide
CID 103274583
2-amino-N-(5-bromo-2,4-difluorophenyl)-3-methoxybenzamide
CID 102852353
N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluoro-5-sulfanylbenzamide
CID 107590334
2-amino-3-bromo-N-(4-chloro-2-methylphenyl)benzamide
CID 110451300
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-methoxybenzamide
CID 103274988
4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide
CID 107592498

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-fluorobenzamide?
The IUPAC name of 2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-fluorobenzamide (CID 107592257) is 2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-fluorobenzamide.
What is the SMILES notation for 2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-fluorobenzamide?
The canonical SMILES for 2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-fluorobenzamide is Cc1cc(F)c(Br)cc1NC(=O)c1cccc(F)c1N.
What is the InChIKey of 2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-fluorobenzamide?
The InChIKey is LLCNASVUDXGQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O/c1-7-5-11(17)9(15)6-12(7)19-14(20)8-3-2-4-10(16)13(8)18/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-fluorobenzamide?
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-fluorobenzamide has a molecular weight of 341.16 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-fluorobenzamide is sourced from PubChem (CID 107592257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).