2-cyclohexyl-1,3-dioxo-N-[3-(trifluoromethyl)cyclohexyl]isoindole-5-carboxamide

C22H25F3N2O3 — CID 55534849

IUPAC2-cyclohexyl-1,3-dioxo-N-[3-(trifluoromethyl)cyclohexyl]isoindole-5-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C22H25F3N2O3/c23-22(24,25)14-5-4-6-15(12-14)26-19(28)13-9-10-17-18(11-13)21(30)27(20(17)29)16-7-2-1-3-8-16/h9-11,14-16H,1-8,12H2,(H,26,28)
InChIKeyOZOKVMHAOOGHEJ-UHFFFAOYSA-N
MW422.45 g/mol
LogP4.47
Rot. Bonds3

About 2-cyclohexyl-1,3-dioxo-N-[3-(trifluoromethyl)cyclohexyl]isoindole-5-carboxamide

2-cyclohexyl-1,3-dioxo-N-[3-(trifluoromethyl)cyclohexyl]isoindole-5-carboxamide (PubChem CID 55534849) has the molecular formula C22H25F3N2O3 and a molecular weight of 422.45 g/mol. Its IUPAC name is 2-cyclohexyl-1,3-dioxo-N-[3-(trifluoromethyl)cyclohexyl]isoindole-5-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-1,3-dioxo-N-[3-(trifluoromethyl)cyclohexyl]isoindole-5-carboxamide
PubChem CID55534849
Molecular FormulaC22H25F3N2O3
Molecular Weight422.45 g/mol
Exact Mass422.18
IUPAC Name2-cyclohexyl-1,3-dioxo-N-[3-(trifluoromethyl)cyclohexyl]isoindole-5-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C22H25F3N2O3/c23-22(24,25)14-5-4-6-15(12-14)26-19(28)13-9-10-17-18(11-13)21(30)27(20(17)29)16-7-2-1-3-8-16/h9-11,14-16H,1-8,12H2,(H,26,28)
InChIKeyOZOKVMHAOOGHEJ-UHFFFAOYSA-N
XLogP4.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride
CID 119450760
4-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702556
4-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702550
2-cyclohexyl-1,3-dioxo-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]isoindole-5-carboxamide
CID 108934796
N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]quinoxaline-6-carboxamide
CID 97185005
N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86925196
N-cyclopentyl-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 6460881
2-cyclohexyl-1,3-dioxo-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]isoindole-5-carboxamide
CID 108933259
2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]acetic acid
CID 119171454
2-cyclohexyl-N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108540506
N-cyclopentyl-2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 9213923
N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
CID 764833

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1,3-dioxo-N-[3-(trifluoromethyl)cyclohexyl]isoindole-5-carboxamide?
The IUPAC name of 2-cyclohexyl-1,3-dioxo-N-[3-(trifluoromethyl)cyclohexyl]isoindole-5-carboxamide (CID 55534849) is 2-cyclohexyl-1,3-dioxo-N-[3-(trifluoromethyl)cyclohexyl]isoindole-5-carboxamide.
What is the SMILES notation for 2-cyclohexyl-1,3-dioxo-N-[3-(trifluoromethyl)cyclohexyl]isoindole-5-carboxamide?
The canonical SMILES for 2-cyclohexyl-1,3-dioxo-N-[3-(trifluoromethyl)cyclohexyl]isoindole-5-carboxamide is O=C(NC1CCCC(C(F)(F)F)C1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O.
What is the InChIKey of 2-cyclohexyl-1,3-dioxo-N-[3-(trifluoromethyl)cyclohexyl]isoindole-5-carboxamide?
The InChIKey is OZOKVMHAOOGHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O3/c23-22(24,25)14-5-4-6-15(12-14)26-19(28)13-9-10-17-18(11-13)21(30)27(20(17)29)16-7-2-1-3-8-16/h9-11,14-16H,1-8,12H2,(H,26,28).
What are the key properties of 2-cyclohexyl-1,3-dioxo-N-[3-(trifluoromethyl)cyclohexyl]isoindole-5-carboxamide?
2-cyclohexyl-1,3-dioxo-N-[3-(trifluoromethyl)cyclohexyl]isoindole-5-carboxamide has a molecular weight of 422.45 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1,3-dioxo-N-[3-(trifluoromethyl)cyclohexyl]isoindole-5-carboxamide is sourced from PubChem (CID 55534849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).