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

C19H23ClF3N3O3 — CID 4845483

IUPACN-[2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-2-oxoethyl]cyclohexanecarboxamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CNC(=O)C1CCCCC1
InChIInChI=1S/C19H23ClF3N3O3/c1-26(17(28)10-24-18(29)12-5-3-2-4-6-12)11-16(27)25-13-7-8-15(20)14(9-13)19(21,22)23/h7-9,12H,2-6,10-11H2,1H3,(H,24,29)(H,25,27)
InChIKeyZBXYAMSWTSLZJK-UHFFFAOYSA-N
MW433.86 g/mol
LogP3.45
Rot. Bonds6

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

N-[2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 4845483) has the molecular formula C19H23ClF3N3O3 and a molecular weight of 433.86 g/mol. Its IUPAC name is N-[2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID4845483
Molecular FormulaC19H23ClF3N3O3
Molecular Weight433.86 g/mol
Exact Mass433.14
IUPAC NameN-[2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-2-oxoethyl]cyclohexanecarboxamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CNC(=O)C1CCCCC1
InChIInChI=1S/C19H23ClF3N3O3/c1-26(17(28)10-24-18(29)12-5-3-2-4-6-12)11-16(27)25-13-7-8-15(20)14(9-13)19(21,22)23/h7-9,12H,2-6,10-11H2,1H3,(H,24,29)(H,25,27)
InChIKeyZBXYAMSWTSLZJK-UHFFFAOYSA-N
XLogP3.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.86
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-2-oxoethyl]cyclohexanecarboxamide (CID 4845483) is N-[2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-2-oxoethyl]cyclohexanecarboxamide is CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CNC(=O)C1CCCCC1.
What is the InChIKey of N-[2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is ZBXYAMSWTSLZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClF3N3O3/c1-26(17(28)10-24-18(29)12-5-3-2-4-6-12)11-16(27)25-13-7-8-15(20)14(9-13)19(21,22)23/h7-9,12H,2-6,10-11H2,1H3,(H,24,29)(H,25,27).
What are the key properties of N-[2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-2-oxoethyl]cyclohexanecarboxamide?
N-[2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 433.86 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 4845483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).