6-[[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]carbonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

C24H21F3N2O6 — CID 19059181

IUPAC6-[[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]carbonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESO=C(COC(=O)c1ccc(NC(=O)C2CC=CCC2C(=O)O)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H21F3N2O6/c25-24(26,27)15-4-3-5-17(12-15)28-20(30)13-35-23(34)14-8-10-16(11-9-14)29-21(31)18-6-1-2-7-19(18)22(32)33/h1-5,8-12,18-19H,6-7,13H2,(H,28,30)(H,29,31)(H,32,33)
InChIKeyCXSREQYKAAUNKM-UHFFFAOYSA-N
MW490.43 g/mol
LogP4.11
Rot. Bonds7

About 6-[[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]carbonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

6-[[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]carbonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid (PubChem CID 19059181) has the molecular formula C24H21F3N2O6 and a molecular weight of 490.43 g/mol. Its IUPAC name is 6-[[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]carbonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-[[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]carbonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
PubChem CID19059181
Molecular FormulaC24H21F3N2O6
Molecular Weight490.43 g/mol
Exact Mass490.14
IUPAC Name6-[[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]carbonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESO=C(COC(=O)c1ccc(NC(=O)C2CC=CCC2C(=O)O)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H21F3N2O6/c25-24(26,27)15-4-3-5-17(12-15)28-20(30)13-35-23(34)14-8-10-16(11-9-14)29-21(31)18-6-1-2-7-19(18)22(32)33/h1-5,8-12,18-19H,6-7,13H2,(H,28,30)(H,29,31)(H,32,33)
InChIKeyCXSREQYKAAUNKM-UHFFFAOYSA-N
XLogP4.11
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.43
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]carbonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid 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

(E)-4-oxo-4-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]carbonylanilino]but-2-enoic acid
CID 19059755
(1R,6S)-6-[(4-ethoxycarbonylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 40537606
[2-oxo-2-(3-phenoxyanilino)ethyl] 4-(trifluoromethyl)benzoate
CID 2427103
2-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 53270434
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] (1S)-cyclohex-3-ene-1-carboxylate
CID 7932576
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-(difluoromethylsulfonyl)benzoate
CID 2499508
[2-(4-acetylanilino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 2504453
(1R,6R)-6-[(4-carbamoylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 802027
butyl 4-[[2-[4-oxo-4-[3-(trifluoromethyl)anilino]butanoyl]oxyacetyl]amino]benzoate
CID 17260342
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoate
CID 4568779
6-[[3-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 18896235
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 3-ethoxy-4-methoxybenzoate
CID 7903710

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]carbonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-[[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]carbonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid (CID 19059181) is 6-[[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]carbonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-[[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]carbonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-[[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]carbonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid is O=C(COC(=O)c1ccc(NC(=O)C2CC=CCC2C(=O)O)cc1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-[[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]carbonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The InChIKey is CXSREQYKAAUNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O6/c25-24(26,27)15-4-3-5-17(12-15)28-20(30)13-35-23(34)14-8-10-16(11-9-14)29-21(31)18-6-1-2-7-19(18)22(32)33/h1-5,8-12,18-19H,6-7,13H2,(H,28,30)(H,29,31)(H,32,33).
What are the key properties of 6-[[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]carbonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid?
6-[[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]carbonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid has a molecular weight of 490.43 g/mol, XLogP of 4.11, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]carbonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 19059181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).