2,5-difluoro-N-methyl-3-nitro-N-(2,2,2-trifluoroethyl)benzamide

C10H7F5N2O3 — CID 107121843

IUPAC2,5-difluoro-N-methyl-3-nitro-N-(2,2,2-trifluoroethyl)benzamide
SMILESCN(CC(F)(F)F)C(=O)c1cc(F)cc([N+](=O)[O-])c1F
InChIInChI=1S/C10H7F5N2O3/c1-16(4-10(13,14)15)9(18)6-2-5(11)3-7(8(6)12)17(19)20/h2-3H,4H2,1H3
InChIKeyIDDNYAURQJLISU-UHFFFAOYSA-N
MW298.17 g/mol
LogP2.51
Rot. Bonds3

About 2,5-difluoro-N-methyl-3-nitro-N-(2,2,2-trifluoroethyl)benzamide

2,5-difluoro-N-methyl-3-nitro-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 107121843) has the molecular formula C10H7F5N2O3 and a molecular weight of 298.17 g/mol. Its IUPAC name is 2,5-difluoro-N-methyl-3-nitro-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-methyl-3-nitro-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID107121843
Molecular FormulaC10H7F5N2O3
Molecular Weight298.17 g/mol
Exact Mass298.04
IUPAC Name2,5-difluoro-N-methyl-3-nitro-N-(2,2,2-trifluoroethyl)benzamide
SMILESCN(CC(F)(F)F)C(=O)c1cc(F)cc([N+](=O)[O-])c1F
InChIInChI=1S/C10H7F5N2O3/c1-16(4-10(13,14)15)9(18)6-2-5(11)3-7(8(6)12)17(19)20/h2-3H,4H2,1H3
InChIKeyIDDNYAURQJLISU-UHFFFAOYSA-N
XLogP2.51
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,5-difluoro-N-methyl-N-(2-methylbutan-2-yl)-3-nitrobenzamide
CID 107122086
2,5-difluoro-N-methyl-3-nitro-N-pent-4-enylbenzamide
CID 107122329
N-(2-cyanopropyl)-2,5-difluoro-N-methyl-3-nitrobenzamide
CID 107121890
2,5-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-nitrobenzamide
CID 107121985
N-(3,3-dimethylbutan-2-yl)-2,5-difluoro-N-methyl-3-nitrobenzamide
CID 107121896
2,5-difluoro-N-methyl-3-nitro-N-pentan-2-ylbenzamide
CID 107121826
2,5-difluoro-N-methyl-3-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 107121992
2,5-difluoro-N-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107122710
2,5-difluoro-3-nitrobenzoic acid
CID 15622527
N-(1-cyclopropylethyl)-2,5-difluoro-N-methyl-3-nitrobenzamide
CID 107121820
2,5-difluoro-N-methyl-3-nitro-N-piperidin-4-ylbenzamide
CID 107122608
N-(3-bromo-2,2-dimethylpropyl)-2,5-difluoro-3-nitrobenzamide
CID 107123522

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-methyl-3-nitro-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2,5-difluoro-N-methyl-3-nitro-N-(2,2,2-trifluoroethyl)benzamide (CID 107121843) is 2,5-difluoro-N-methyl-3-nitro-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2,5-difluoro-N-methyl-3-nitro-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2,5-difluoro-N-methyl-3-nitro-N-(2,2,2-trifluoroethyl)benzamide is CN(CC(F)(F)F)C(=O)c1cc(F)cc([N+](=O)[O-])c1F.
What is the InChIKey of 2,5-difluoro-N-methyl-3-nitro-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is IDDNYAURQJLISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5N2O3/c1-16(4-10(13,14)15)9(18)6-2-5(11)3-7(8(6)12)17(19)20/h2-3H,4H2,1H3.
What are the key properties of 2,5-difluoro-N-methyl-3-nitro-N-(2,2,2-trifluoroethyl)benzamide?
2,5-difluoro-N-methyl-3-nitro-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 298.17 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-methyl-3-nitro-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 107121843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).