2-[3-chloro-4-cyano-N-(2,2,2-trifluoroethyl)anilino]acetamide

C11H9ClF3N3O — CID 11449209

IUPAC2-[3-chloro-4-cyano-N-(2,2,2-trifluoroethyl)anilino]acetamide
SMILESN#Cc1ccc(N(CC(N)=O)CC(F)(F)F)cc1Cl
InChIInChI=1S/C11H9ClF3N3O/c12-9-3-8(2-1-7(9)4-16)18(5-10(17)19)6-11(13,14)15/h1-3H,5-6H2,(H2,17,19)
InChIKeyQNLXXIILKHCYIS-UHFFFAOYSA-N
MW291.66 g/mol
LogP2.07
Rot. Bonds4

About 2-[3-chloro-4-cyano-N-(2,2,2-trifluoroethyl)anilino]acetamide

2-[3-chloro-4-cyano-N-(2,2,2-trifluoroethyl)anilino]acetamide (PubChem CID 11449209) has the molecular formula C11H9ClF3N3O and a molecular weight of 291.66 g/mol. Its IUPAC name is 2-[3-chloro-4-cyano-N-(2,2,2-trifluoroethyl)anilino]acetamide.

Molecular Properties

Compound Name2-[3-chloro-4-cyano-N-(2,2,2-trifluoroethyl)anilino]acetamide
PubChem CID11449209
Molecular FormulaC11H9ClF3N3O
Molecular Weight291.66 g/mol
Exact Mass291.04
IUPAC Name2-[3-chloro-4-cyano-N-(2,2,2-trifluoroethyl)anilino]acetamide
SMILESN#Cc1ccc(N(CC(N)=O)CC(F)(F)F)cc1Cl
InChIInChI=1S/C11H9ClF3N3O/c12-9-3-8(2-1-7(9)4-16)18(5-10(17)19)6-11(13,14)15/h1-3H,5-6H2,(H2,17,19)
InChIKeyQNLXXIILKHCYIS-UHFFFAOYSA-N
XLogP2.07
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.66
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-cyano-N-(2,2,2-trifluoroethyl)anilino]acetamide?
The IUPAC name of 2-[3-chloro-4-cyano-N-(2,2,2-trifluoroethyl)anilino]acetamide (CID 11449209) is 2-[3-chloro-4-cyano-N-(2,2,2-trifluoroethyl)anilino]acetamide.
What is the SMILES notation for 2-[3-chloro-4-cyano-N-(2,2,2-trifluoroethyl)anilino]acetamide?
The canonical SMILES for 2-[3-chloro-4-cyano-N-(2,2,2-trifluoroethyl)anilino]acetamide is N#Cc1ccc(N(CC(N)=O)CC(F)(F)F)cc1Cl.
What is the InChIKey of 2-[3-chloro-4-cyano-N-(2,2,2-trifluoroethyl)anilino]acetamide?
The InChIKey is QNLXXIILKHCYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3O/c12-9-3-8(2-1-7(9)4-16)18(5-10(17)19)6-11(13,14)15/h1-3H,5-6H2,(H2,17,19).
What are the key properties of 2-[3-chloro-4-cyano-N-(2,2,2-trifluoroethyl)anilino]acetamide?
2-[3-chloro-4-cyano-N-(2,2,2-trifluoroethyl)anilino]acetamide has a molecular weight of 291.66 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-cyano-N-(2,2,2-trifluoroethyl)anilino]acetamide is sourced from PubChem (CID 11449209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).