3-fluoro-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide

C14H10F4N2O — CID 62808855

IUPAC3-fluoro-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide
SMILESCNc1c(F)cccc1C(=O)Nc1cc(F)c(F)cc1F
InChIInChI=1S/C14H10F4N2O/c1-19-13-7(3-2-4-8(13)15)14(21)20-12-6-10(17)9(16)5-11(12)18/h2-6,19H,1H3,(H,20,21)
InChIKeyJRSZLQGPPHGTKL-UHFFFAOYSA-N
MW298.24 g/mol
LogP3.54
Rot. Bonds3

About 3-fluoro-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide

3-fluoro-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide (PubChem CID 62808855) has the molecular formula C14H10F4N2O and a molecular weight of 298.24 g/mol. Its IUPAC name is 3-fluoro-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide.

Molecular Properties

Compound Name3-fluoro-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide
PubChem CID62808855
Molecular FormulaC14H10F4N2O
Molecular Weight298.24 g/mol
Exact Mass298.07
IUPAC Name3-fluoro-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide
SMILESCNc1c(F)cccc1C(=O)Nc1cc(F)c(F)cc1F
InChIInChI=1S/C14H10F4N2O/c1-19-13-7(3-2-4-8(13)15)14(21)20-12-6-10(17)9(16)5-11(12)18/h2-6,19H,1H3,(H,20,21)
InChIKeyJRSZLQGPPHGTKL-UHFFFAOYSA-N
XLogP3.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.24
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-3-fluoro-2-(methylamino)benzamide
CID 55099714
N-(3,5-difluorophenyl)-3-fluoro-2-(methylamino)benzamide
CID 62650098
N-(4-bromo-2-methylphenyl)-3-fluoro-2-(methylamino)benzamide
CID 62649691
3-fluoro-N-(4-fluorophenyl)-2-(methylamino)benzamide
CID 62648773
N-(2-cyano-4-fluorophenyl)-3-fluoro-2-(methylamino)benzamide
CID 82682867
3-fluoro-2-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 62649569
5-methyl-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide
CID 62809031
4-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)benzamide
CID 103863779
3-fluoro-2-(methylamino)-N-pyrazin-2-ylbenzamide
CID 62661875
3-fluoro-2-(methylamino)-N-(thiatriazol-5-yl)benzamide
CID 114914408
N-(2,6-dichloro-3-methylphenyl)-3-fluoro-2-(methylamino)benzamide
CID 62649355
2-bromo-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
CID 107612432

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide?
The IUPAC name of 3-fluoro-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide (CID 62808855) is 3-fluoro-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide.
What is the SMILES notation for 3-fluoro-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide?
The canonical SMILES for 3-fluoro-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide is CNc1c(F)cccc1C(=O)Nc1cc(F)c(F)cc1F.
What is the InChIKey of 3-fluoro-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide?
The InChIKey is JRSZLQGPPHGTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N2O/c1-19-13-7(3-2-4-8(13)15)14(21)20-12-6-10(17)9(16)5-11(12)18/h2-6,19H,1H3,(H,20,21).
What are the key properties of 3-fluoro-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide?
3-fluoro-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide has a molecular weight of 298.24 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide is sourced from PubChem (CID 62808855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).