2-(4-fluorophenyl)-5-nitroso-N-(2,2,2-trifluoroethyl)benzamide

C15H10F4N2O2 — CID 175316699

IUPAC2-(4-fluorophenyl)-5-nitroso-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=Nc1ccc(-c2ccc(F)cc2)c(C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C15H10F4N2O2/c16-10-3-1-9(2-4-10)12-6-5-11(21-23)7-13(12)14(22)20-8-15(17,18)19/h1-7H,8H2,(H,20,22)
InChIKeyHLMMTTQBBIAQPD-UHFFFAOYSA-N
MW326.25 g/mol
LogP4.18
Rot. Bonds4

About 2-(4-fluorophenyl)-5-nitroso-N-(2,2,2-trifluoroethyl)benzamide

2-(4-fluorophenyl)-5-nitroso-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 175316699) has the molecular formula C15H10F4N2O2 and a molecular weight of 326.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-nitroso-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-nitroso-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID175316699
Molecular FormulaC15H10F4N2O2
Molecular Weight326.25 g/mol
Exact Mass326.07
IUPAC Name2-(4-fluorophenyl)-5-nitroso-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=Nc1ccc(-c2ccc(F)cc2)c(C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C15H10F4N2O2/c16-10-3-1-9(2-4-10)12-6-5-11(21-23)7-13(12)14(22)20-8-15(17,18)19/h1-7H,8H2,(H,20,22)
InChIKeyHLMMTTQBBIAQPD-UHFFFAOYSA-N
XLogP4.18
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-nitroso-N-(2,2,2-trifluoroethyl)benzamide
CID 174879581
2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 51072699
2-(4-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoline-4-carboxamide
CID 60545039
2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62510396
3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 70732817
2,4-difluoro-N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]benzamide
CID 78802712
2,4-dimethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78785997
3-(4-fluorophenyl)-4-[(1S)-1-hydroxyethyl]-N-(2,2,2-trifluoroethyl)-1,2-oxazole-5-carboxamide
CID 100630633
2-chloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78780256
2-chloro-5-sulfanyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107021740
3,5-dibromo-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 7535357
N-[2,2-difluoro-2-[4-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 121304779

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-nitroso-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-(4-fluorophenyl)-5-nitroso-N-(2,2,2-trifluoroethyl)benzamide (CID 175316699) is 2-(4-fluorophenyl)-5-nitroso-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-(4-fluorophenyl)-5-nitroso-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-(4-fluorophenyl)-5-nitroso-N-(2,2,2-trifluoroethyl)benzamide is O=Nc1ccc(-c2ccc(F)cc2)c(C(=O)NCC(F)(F)F)c1.
What is the InChIKey of 2-(4-fluorophenyl)-5-nitroso-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is HLMMTTQBBIAQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N2O2/c16-10-3-1-9(2-4-10)12-6-5-11(21-23)7-13(12)14(22)20-8-15(17,18)19/h1-7H,8H2,(H,20,22).
What are the key properties of 2-(4-fluorophenyl)-5-nitroso-N-(2,2,2-trifluoroethyl)benzamide?
2-(4-fluorophenyl)-5-nitroso-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 326.25 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-nitroso-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 175316699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).