2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-cyclohexylacetamide

C18H23ClF3N3O2 — CID 9114768

IUPAC2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-cyclohexylacetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(=O)NC1CCCCC1
InChIInChI=1S/C18H23ClF3N3O2/c1-25(10-16(26)23-12-5-3-2-4-6-12)11-17(27)24-13-7-8-15(19)14(9-13)18(20,21)22/h7-9,12H,2-6,10-11H2,1H3,(H,23,26)(H,24,27)
InChIKeyYLXAMOYKHAPQMP-UHFFFAOYSA-N
MW405.85 g/mol
LogP3.68
Rot. Bonds6

About 2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-cyclohexylacetamide

2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-cyclohexylacetamide (PubChem CID 9114768) has the molecular formula C18H23ClF3N3O2 and a molecular weight of 405.85 g/mol. Its IUPAC name is 2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-cyclohexylacetamide
PubChem CID9114768
Molecular FormulaC18H23ClF3N3O2
Molecular Weight405.85 g/mol
Exact Mass405.14
IUPAC Name2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-cyclohexylacetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(=O)NC1CCCCC1
InChIInChI=1S/C18H23ClF3N3O2/c1-25(10-16(26)23-12-5-3-2-4-6-12)11-17(27)24-13-7-8-15(19)14(9-13)18(20,21)22/h7-9,12H,2-6,10-11H2,1H3,(H,23,26)(H,24,27)
InChIKeyYLXAMOYKHAPQMP-UHFFFAOYSA-N
XLogP3.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.85
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-cyclohexylacetamide?
The IUPAC name of 2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-cyclohexylacetamide (CID 9114768) is 2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-cyclohexylacetamide is CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(=O)NC1CCCCC1.
What is the InChIKey of 2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-cyclohexylacetamide?
The InChIKey is YLXAMOYKHAPQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClF3N3O2/c1-25(10-16(26)23-12-5-3-2-4-6-12)11-17(27)24-13-7-8-15(19)14(9-13)18(20,21)22/h7-9,12H,2-6,10-11H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-cyclohexylacetamide?
2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-cyclohexylacetamide has a molecular weight of 405.85 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-cyclohexylacetamide is sourced from PubChem (CID 9114768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).