(2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide

C18H21F3N2O2 — CID 8578772

IUPAC(2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide
SMILESC[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N(C)C1(C#N)CCCCC1
InChIInChI=1S/C18H21F3N2O2/c1-13(25-15-8-6-14(7-9-15)18(19,20)21)16(24)23(2)17(12-22)10-4-3-5-11-17/h6-9,13H,3-5,10-11H2,1-2H3/t13-/m1/s1
InChIKeyZSQBHTJGGLQFCC-CYBMUJFWSA-N
MW354.37 g/mol
LogP4.16
Rot. Bonds4

About (2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide

(2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide (PubChem CID 8578772) has the molecular formula C18H21F3N2O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is (2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide
PubChem CID8578772
Molecular FormulaC18H21F3N2O2
Molecular Weight354.37 g/mol
Exact Mass354.16
IUPAC Name(2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide
SMILESC[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N(C)C1(C#N)CCCCC1
InChIInChI=1S/C18H21F3N2O2/c1-13(25-15-8-6-14(7-9-15)18(19,20)21)16(24)23(2)17(12-22)10-4-3-5-11-17/h6-9,13H,3-5,10-11H2,1-2H3/t13-/m1/s1
InChIKeyZSQBHTJGGLQFCC-CYBMUJFWSA-N
XLogP4.16
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8854988
[(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 8665614
N-(1-cyanocyclopentyl)-4-fluoro-N-methylbenzamide
CID 82130674
[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-(trifluoromethyl)benzoate
CID 7838459
(2R)-N-(1-cyanocyclohexyl)-2-(2,3-dihydroindol-1-yl)-N-methylpropanamide
CID 9432014
(2S)-N-[1-(hydroxymethyl)cyclopropyl]-2-[4-(trifluoromethyl)phenoxy]propanamide
CID 99826146
[(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 3-(3,4-dimethoxyphenyl)propanoate
CID 8734024
azane;(2R)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 162540820
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanethioic S-acid
CID 20555453
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
CID 12905997
1-phenyl-2-[4-(trifluoromethyl)phenoxy]propan-1-one
CID 60624061
[(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 3-chloro-4,5-dimethoxybenzoate
CID 8952488

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide?
The IUPAC name of (2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide (CID 8578772) is (2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide.
What is the SMILES notation for (2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide?
The canonical SMILES for (2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide is C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N(C)C1(C#N)CCCCC1.
What is the InChIKey of (2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide?
The InChIKey is ZSQBHTJGGLQFCC-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21F3N2O2/c1-13(25-15-8-6-14(7-9-15)18(19,20)21)16(24)23(2)17(12-22)10-4-3-5-11-17/h6-9,13H,3-5,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide?
(2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide has a molecular weight of 354.37 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide is sourced from PubChem (CID 8578772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).