N-[2-chloro-6-cyano-4-(trifluoromethyl)phenyl]-N-methylacetamide

C11H8ClF3N2O — CID 156808248

IUPACN-[2-chloro-6-cyano-4-(trifluoromethyl)phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1c(Cl)cc(C(F)(F)F)cc1C#N
InChIInChI=1S/C11H8ClF3N2O/c1-6(18)17(2)10-7(5-16)3-8(4-9(10)12)11(13,14)15/h3-4H,1-2H3
InChIKeyCMSAGFJOEWGHSB-UHFFFAOYSA-N
MW276.65 g/mol
LogP3.21
Rot. Bonds1

About N-[2-chloro-6-cyano-4-(trifluoromethyl)phenyl]-N-methylacetamide

N-[2-chloro-6-cyano-4-(trifluoromethyl)phenyl]-N-methylacetamide (PubChem CID 156808248) has the molecular formula C11H8ClF3N2O and a molecular weight of 276.65 g/mol. Its IUPAC name is N-[2-chloro-6-cyano-4-(trifluoromethyl)phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-chloro-6-cyano-4-(trifluoromethyl)phenyl]-N-methylacetamide
PubChem CID156808248
Molecular FormulaC11H8ClF3N2O
Molecular Weight276.65 g/mol
Exact Mass276.03
IUPAC NameN-[2-chloro-6-cyano-4-(trifluoromethyl)phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1c(Cl)cc(C(F)(F)F)cc1C#N
InChIInChI=1S/C11H8ClF3N2O/c1-6(18)17(2)10-7(5-16)3-8(4-9(10)12)11(13,14)15/h3-4H,1-2H3
InChIKeyCMSAGFJOEWGHSB-UHFFFAOYSA-N
XLogP3.21
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.65
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-cyano-4-(trifluoromethyl)phenyl]-N-methylacetamide?
The IUPAC name of N-[2-chloro-6-cyano-4-(trifluoromethyl)phenyl]-N-methylacetamide (CID 156808248) is N-[2-chloro-6-cyano-4-(trifluoromethyl)phenyl]-N-methylacetamide.
What is the SMILES notation for N-[2-chloro-6-cyano-4-(trifluoromethyl)phenyl]-N-methylacetamide?
The canonical SMILES for N-[2-chloro-6-cyano-4-(trifluoromethyl)phenyl]-N-methylacetamide is CC(=O)N(C)c1c(Cl)cc(C(F)(F)F)cc1C#N.
What is the InChIKey of N-[2-chloro-6-cyano-4-(trifluoromethyl)phenyl]-N-methylacetamide?
The InChIKey is CMSAGFJOEWGHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2O/c1-6(18)17(2)10-7(5-16)3-8(4-9(10)12)11(13,14)15/h3-4H,1-2H3.
What are the key properties of N-[2-chloro-6-cyano-4-(trifluoromethyl)phenyl]-N-methylacetamide?
N-[2-chloro-6-cyano-4-(trifluoromethyl)phenyl]-N-methylacetamide has a molecular weight of 276.65 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-cyano-4-(trifluoromethyl)phenyl]-N-methylacetamide is sourced from PubChem (CID 156808248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).