2-amino-N-(2,6-difluoro-3-methylphenyl)-3-fluorobenzamide

C14H11F3N2O — CID 82818263

IUPAC2-amino-N-(2,6-difluoro-3-methylphenyl)-3-fluorobenzamide
SMILESCc1ccc(F)c(NC(=O)c2cccc(F)c2N)c1F
InChIInChI=1S/C14H11F3N2O/c1-7-5-6-10(16)13(11(7)17)19-14(20)8-3-2-4-9(15)12(8)18/h2-6H,18H2,1H3,(H,19,20)
InChIKeyVEQQJWPBPUHUQZ-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.25
Rot. Bonds2

About 2-amino-N-(2,6-difluoro-3-methylphenyl)-3-fluorobenzamide

2-amino-N-(2,6-difluoro-3-methylphenyl)-3-fluorobenzamide (PubChem CID 82818263) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-amino-N-(2,6-difluoro-3-methylphenyl)-3-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(2,6-difluoro-3-methylphenyl)-3-fluorobenzamide
PubChem CID82818263
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name2-amino-N-(2,6-difluoro-3-methylphenyl)-3-fluorobenzamide
SMILESCc1ccc(F)c(NC(=O)c2cccc(F)c2N)c1F
InChIInChI=1S/C14H11F3N2O/c1-7-5-6-10(16)13(11(7)17)19-14(20)8-3-2-4-9(15)12(8)18/h2-6H,18H2,1H3,(H,19,20)
InChIKeyVEQQJWPBPUHUQZ-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.25
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-(2,6-difluoro-3-methylphenyl)-3-hydroxy-2-methylbenzamide
CID 82829913
2-bromo-N-(2,6-difluoro-3-methylphenyl)-3-methylbenzamide
CID 107982586
2-amino-3-fluoro-N-(2,3,4-trifluorophenyl)benzamide
CID 62649534
2-amino-N-(2,6-difluoro-3-methylphenyl)-5-methylbenzamide
CID 82816475
2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide
CID 62662395
2-amino-N-(3,5-dimethylphenyl)-3-fluorobenzamide
CID 62649761
2-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909344
2-amino-N-(2,3-difluorophenyl)-3-methylbenzamide
CID 61074628
N-(2,6-difluoro-3-methylphenyl)benzamide
CID 82819371
2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-fluorobenzamide
CID 81499961
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-fluorobenzamide
CID 107592257
N-(2,6-difluoro-3-methylphenyl)-2,5-dihydroxybenzamide
CID 107723516

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,6-difluoro-3-methylphenyl)-3-fluorobenzamide?
The IUPAC name of 2-amino-N-(2,6-difluoro-3-methylphenyl)-3-fluorobenzamide (CID 82818263) is 2-amino-N-(2,6-difluoro-3-methylphenyl)-3-fluorobenzamide.
What is the SMILES notation for 2-amino-N-(2,6-difluoro-3-methylphenyl)-3-fluorobenzamide?
The canonical SMILES for 2-amino-N-(2,6-difluoro-3-methylphenyl)-3-fluorobenzamide is Cc1ccc(F)c(NC(=O)c2cccc(F)c2N)c1F.
What is the InChIKey of 2-amino-N-(2,6-difluoro-3-methylphenyl)-3-fluorobenzamide?
The InChIKey is VEQQJWPBPUHUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c1-7-5-6-10(16)13(11(7)17)19-14(20)8-3-2-4-9(15)12(8)18/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-(2,6-difluoro-3-methylphenyl)-3-fluorobenzamide?
2-amino-N-(2,6-difluoro-3-methylphenyl)-3-fluorobenzamide has a molecular weight of 280.25 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,6-difluoro-3-methylphenyl)-3-fluorobenzamide is sourced from PubChem (CID 82818263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).