2-amino-3-fluoro-N-(2,3,4-trifluorophenyl)benzamide

C13H8F4N2O — CID 62649534

IUPAC2-amino-3-fluoro-N-(2,3,4-trifluorophenyl)benzamide
SMILESNc1c(F)cccc1C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C13H8F4N2O/c14-7-4-5-9(11(17)10(7)16)19-13(20)6-2-1-3-8(15)12(6)18/h1-5H,18H2,(H,19,20)
InChIKeyXASNXDAOQOOCLF-UHFFFAOYSA-N
MW284.21 g/mol
LogP3.08
Rot. Bonds2

About 2-amino-3-fluoro-N-(2,3,4-trifluorophenyl)benzamide

2-amino-3-fluoro-N-(2,3,4-trifluorophenyl)benzamide (PubChem CID 62649534) has the molecular formula C13H8F4N2O and a molecular weight of 284.21 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-(2,3,4-trifluorophenyl)benzamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-(2,3,4-trifluorophenyl)benzamide
PubChem CID62649534
Molecular FormulaC13H8F4N2O
Molecular Weight284.21 g/mol
Exact Mass284.06
IUPAC Name2-amino-3-fluoro-N-(2,3,4-trifluorophenyl)benzamide
SMILESNc1c(F)cccc1C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C13H8F4N2O/c14-7-4-5-9(11(17)10(7)16)19-13(20)6-2-1-3-8(15)12(6)18/h1-5H,18H2,(H,19,20)
InChIKeyXASNXDAOQOOCLF-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.21
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2,3-difluorophenyl)-3-methylbenzamide
CID 61074628
2-amino-N-(2-bromo-4-chlorophenyl)-3-fluorobenzamide
CID 81275442
2-amino-N-(2,6-difluoro-3-methylphenyl)-3-fluorobenzamide
CID 82818263
2-bromo-3-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 103857092
2-amino-N-(2-bromo-4-methylphenyl)-3-fluorobenzamide
CID 62649187
2-phenyl-N-(2,3,4-trifluorophenyl)benzamide
CID 26357388
3-amino-2-chloro-N-(2,3-difluorophenyl)benzamide
CID 112575125
2-amino-N-(3-chlorophenyl)-3-fluorobenzamide
CID 62650234
2-amino-6-chloro-N-(2,3,4-trifluorophenyl)benzamide
CID 63660530
2-amino-4-chloro-N-(2,3-difluorophenyl)benzamide
CID 61074997
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-fluorobenzamide
CID 107592257
N-(2,3-difluorophenyl)-2,3-dihydroxybenzamide
CID 114344008

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-(2,3,4-trifluorophenyl)benzamide?
The IUPAC name of 2-amino-3-fluoro-N-(2,3,4-trifluorophenyl)benzamide (CID 62649534) is 2-amino-3-fluoro-N-(2,3,4-trifluorophenyl)benzamide.
What is the SMILES notation for 2-amino-3-fluoro-N-(2,3,4-trifluorophenyl)benzamide?
The canonical SMILES for 2-amino-3-fluoro-N-(2,3,4-trifluorophenyl)benzamide is Nc1c(F)cccc1C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-amino-3-fluoro-N-(2,3,4-trifluorophenyl)benzamide?
The InChIKey is XASNXDAOQOOCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4N2O/c14-7-4-5-9(11(17)10(7)16)19-13(20)6-2-1-3-8(15)12(6)18/h1-5H,18H2,(H,19,20).
What are the key properties of 2-amino-3-fluoro-N-(2,3,4-trifluorophenyl)benzamide?
2-amino-3-fluoro-N-(2,3,4-trifluorophenyl)benzamide has a molecular weight of 284.21 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-(2,3,4-trifluorophenyl)benzamide is sourced from PubChem (CID 62649534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).