N-(3-chloro-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide

C11H11ClF3NO2 — CID 86915349

IUPACN-(3-chloro-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1c(Cl)cccc1NC(=O)COCC(F)(F)F
InChIInChI=1S/C11H11ClF3NO2/c1-7-8(12)3-2-4-9(7)16-10(17)5-18-6-11(13,14)15/h2-4H,5-6H2,1H3,(H,16,17)
InChIKeyDCURSYAZANCGOJ-UHFFFAOYSA-N
MW281.66 g/mol
LogP3.17
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(3-chloro-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 86915349) has the molecular formula C11H11ClF3NO2 and a molecular weight of 281.66 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID86915349
Molecular FormulaC11H11ClF3NO2
Molecular Weight281.66 g/mol
Exact Mass281.04
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1c(Cl)cccc1NC(=O)COCC(F)(F)F
InChIInChI=1S/C11H11ClF3NO2/c1-7-8(12)3-2-4-9(7)16-10(17)5-18-6-11(13,14)15/h2-4H,5-6H2,1H3,(H,16,17)
InChIKeyDCURSYAZANCGOJ-UHFFFAOYSA-N
XLogP3.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-iodo-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 113368783
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 835994
N-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)acetamide
CID 759065
N-(2-chloro-5-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86847323
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544642
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
3-chloro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 54961642
N-(3-hydroxy-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103208640
N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 679560
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 4-fluorobenzoate
CID 725032

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 86915349) is N-(3-chloro-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide is Cc1c(Cl)cccc1NC(=O)COCC(F)(F)F.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is DCURSYAZANCGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO2/c1-7-8(12)3-2-4-9(7)16-10(17)5-18-6-11(13,14)15/h2-4H,5-6H2,1H3,(H,16,17).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(3-chloro-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 281.66 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 86915349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).