2-chloro-5-nitroso-N-(2,2,2-trifluoroethyl)benzamide

C9H6ClF3N2O2 — CID 174879581

IUPAC2-chloro-5-nitroso-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=Nc1ccc(Cl)c(C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C9H6ClF3N2O2/c10-7-2-1-5(15-17)3-6(7)8(16)14-4-9(11,12)13/h1-3H,4H2,(H,14,16)
InChIKeyHKKBSXFMPGAYJO-UHFFFAOYSA-N
MW266.61 g/mol
LogP3.03
Rot. Bonds3

About 2-chloro-5-nitroso-N-(2,2,2-trifluoroethyl)benzamide

2-chloro-5-nitroso-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 174879581) has the molecular formula C9H6ClF3N2O2 and a molecular weight of 266.61 g/mol. Its IUPAC name is 2-chloro-5-nitroso-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-nitroso-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID174879581
Molecular FormulaC9H6ClF3N2O2
Molecular Weight266.61 g/mol
Exact Mass266.01
IUPAC Name2-chloro-5-nitroso-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=Nc1ccc(Cl)c(C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C9H6ClF3N2O2/c10-7-2-1-5(15-17)3-6(7)8(16)14-4-9(11,12)13/h1-3H,4H2,(H,14,16)
InChIKeyHKKBSXFMPGAYJO-UHFFFAOYSA-N
XLogP3.03
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.61
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-sulfanyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107021740
2-(4-fluorophenyl)-5-nitroso-N-(2,2,2-trifluoroethyl)benzamide
CID 175316699
2-chloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78780256
2,5-dichloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 114917186
2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzamide
CID 24707243
2-[(2-chloro-5-iodobenzoyl)amino]-1,1-difluoroethanesulfonic acid
CID 167388360
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(2,3,4,5,6-pentafluorophenyl)cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 140859650
3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 175833514
3-chloro-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62235822
2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 65371621
2-chloro-5-[[2,2-dichloro-3-(3,5-difluorophenyl)cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 122622200
2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 51072699

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitroso-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-chloro-5-nitroso-N-(2,2,2-trifluoroethyl)benzamide (CID 174879581) is 2-chloro-5-nitroso-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-chloro-5-nitroso-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-chloro-5-nitroso-N-(2,2,2-trifluoroethyl)benzamide is O=Nc1ccc(Cl)c(C(=O)NCC(F)(F)F)c1.
What is the InChIKey of 2-chloro-5-nitroso-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is HKKBSXFMPGAYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N2O2/c10-7-2-1-5(15-17)3-6(7)8(16)14-4-9(11,12)13/h1-3H,4H2,(H,14,16).
What are the key properties of 2-chloro-5-nitroso-N-(2,2,2-trifluoroethyl)benzamide?
2-chloro-5-nitroso-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 266.61 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitroso-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 174879581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).