N-(4,5-dichloro-2-methylphenyl)-2,2,2-trifluoroacetamide

C9H6Cl2F3NO — CID 145284883

IUPACN-(4,5-dichloro-2-methylphenyl)-2,2,2-trifluoroacetamide
SMILESCc1cc(Cl)c(Cl)cc1NC(=O)C(F)(F)F
InChIInChI=1S/C9H6Cl2F3NO/c1-4-2-5(10)6(11)3-7(4)15-8(16)9(12,13)14/h2-3H,1H3,(H,15,16)
InChIKeyLJPWNJCWFPAFSG-UHFFFAOYSA-N
MW272.05 g/mol
LogP3.80
Rot. Bonds1

About N-(4,5-dichloro-2-methylphenyl)-2,2,2-trifluoroacetamide

N-(4,5-dichloro-2-methylphenyl)-2,2,2-trifluoroacetamide (PubChem CID 145284883) has the molecular formula C9H6Cl2F3NO and a molecular weight of 272.05 g/mol. Its IUPAC name is N-(4,5-dichloro-2-methylphenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4,5-dichloro-2-methylphenyl)-2,2,2-trifluoroacetamide
PubChem CID145284883
Molecular FormulaC9H6Cl2F3NO
Molecular Weight272.05 g/mol
Exact Mass270.98
IUPAC NameN-(4,5-dichloro-2-methylphenyl)-2,2,2-trifluoroacetamide
SMILESCc1cc(Cl)c(Cl)cc1NC(=O)C(F)(F)F
InChIInChI=1S/C9H6Cl2F3NO/c1-4-2-5(10)6(11)3-7(4)15-8(16)9(12,13)14/h2-3H,1H3,(H,15,16)
InChIKeyLJPWNJCWFPAFSG-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.05
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(5-bromo-4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide
CID 129147318
N-(5-chloro-2-methyl-4-nitrophenyl)-2,2,2-trifluoroacetamide
CID 17334923
N-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroacetamide
CID 103646595
N-[4,5-dichloro-2-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-2-hydroxy-2-methylpropanamide
CID 22287352
N-(2,5-dichloro-4-methylphenyl)-2-(ethylamino)-2-methylpropanamide
CID 104727045
N-(3,5-dichloro-2-iodophenyl)-2,2,2-trifluoroacetamide
CID 162537552
N-[2,5-dimethyl-4-(2-methylphenoxy)phenyl]-2,2,2-trifluoroacetamide
CID 159422167
3-(2,5-dichloro-4-methylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 104727936
2,2,2-trifluoro-N-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
CID 11163291
N-(5-chloro-4-fluoro-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 2779513
2,2,2-trifluoro-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 63374698
N-[5,6-dichloro-3-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]-4-methylbenzamide
CID 149149605

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dichloro-2-methylphenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4,5-dichloro-2-methylphenyl)-2,2,2-trifluoroacetamide (CID 145284883) is N-(4,5-dichloro-2-methylphenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4,5-dichloro-2-methylphenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4,5-dichloro-2-methylphenyl)-2,2,2-trifluoroacetamide is Cc1cc(Cl)c(Cl)cc1NC(=O)C(F)(F)F.
What is the InChIKey of N-(4,5-dichloro-2-methylphenyl)-2,2,2-trifluoroacetamide?
The InChIKey is LJPWNJCWFPAFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2F3NO/c1-4-2-5(10)6(11)3-7(4)15-8(16)9(12,13)14/h2-3H,1H3,(H,15,16).
What are the key properties of N-(4,5-dichloro-2-methylphenyl)-2,2,2-trifluoroacetamide?
N-(4,5-dichloro-2-methylphenyl)-2,2,2-trifluoroacetamide has a molecular weight of 272.05 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dichloro-2-methylphenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 145284883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).