2-cyclohexyl-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoroacetamide

C22H27F2N3O4 — CID 170311892

IUPAC2-cyclohexyl-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoroacetamide
SMILESC=C(/C=C\C1=CCN(C2CCC(=O)NC2=O)C1=O)CNC(=O)C(F)(F)C1CCCCC1
InChIInChI=1S/C22H27F2N3O4/c1-14(13-25-21(31)22(23,24)16-5-3-2-4-6-16)7-8-15-11-12-27(20(15)30)17-9-10-18(28)26-19(17)29/h7-8,11,16-17H,1-6,9-10,12-13H2,(H,25,31)(H,26,28,29)/b8-7-
InChIKeyUTOBQZWMYYCHCM-FPLPWBNLSA-N
MW435.47 g/mol
LogP2.00
Rot. Bonds7

About 2-cyclohexyl-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoroacetamide

2-cyclohexyl-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoroacetamide (PubChem CID 170311892) has the molecular formula C22H27F2N3O4 and a molecular weight of 435.47 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoroacetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoroacetamide
PubChem CID170311892
Molecular FormulaC22H27F2N3O4
Molecular Weight435.47 g/mol
Exact Mass435.20
IUPAC Name2-cyclohexyl-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoroacetamide
SMILESC=C(/C=C\C1=CCN(C2CCC(=O)NC2=O)C1=O)CNC(=O)C(F)(F)C1CCCCC1
InChIInChI=1S/C22H27F2N3O4/c1-14(13-25-21(31)22(23,24)16-5-3-2-4-6-16)7-8-15-11-12-27(20(15)30)17-9-10-18(28)26-19(17)29/h7-8,11,16-17H,1-6,9-10,12-13H2,(H,25,31)(H,26,28,29)/b8-7-
InChIKeyUTOBQZWMYYCHCM-FPLPWBNLSA-N
XLogP2.00
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.47
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-cyclohexyl-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoroacetamide 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

2-cyclohexyl-N-methyl-2-piperazin-1-yl-N-[(3Z)-3-[(E)-prop-1-enyl]-5-(trifluoromethyl)hexa-3,5-dienyl]acetamide
CID 141973052
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3a,4,5,6,7,7a-hexahydro-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-(1-methyl-6-oxo-3-pyridinyl)acetamide
CID 153045207
N-[(E)-5-[(2,6-dioxopiperidin-3-yl)-prop-2-enoylamino]-2-methylidenepent-3-enyl]-2,2-difluorobut-3-enamide
CID 170312260
(Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2,7-trifluoro-7-methyl-3,6-dimethylideneoct-4-enamide
CID 170312456
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-6,7-dihydro-3H-isoindol-5-yl]methyl]-2,2-difluoro-2-(4-methylcyclohexyl)acetamide
CID 170314200
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3a,4-dihydro-3H-isoindol-5-yl]methyl]-6-(trifluoromethyl)cyclohexa-1,2,5-triene-1-carboxamide
CID 176541740
N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-3a,4-dihydroisoindol-4-yl]methyl]undecanamide
CID 70911534
(3S)-3-[(3E,4E)-3-ethylidene-4-[2-[4-(methylamino)cyclohexyl]prop-2-enylidene]-2-oxopyrrolidin-1-yl]piperidine-2,6-dione
CID 134582694
3-[3-methyl-4-[(Z)-3-methylidene-5-piperidin-4-ylpent-1-enyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 134582992
N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-3a,4-dihydroisoindol-4-yl]methyl]heptanamide
CID 141245438
3-[3-(7-aminohept-1-en-2-yl)-2,5-dioxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]piperidine-2,6-dione
CID 145384661
7-(5-Aminopentyl)-2-(2,6-dioxopiperidin-3-yl)-4,5-dihydroisoindole-1,3-dione
CID 165055893

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoroacetamide?
The IUPAC name of 2-cyclohexyl-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoroacetamide (CID 170311892) is 2-cyclohexyl-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoroacetamide.
What is the SMILES notation for 2-cyclohexyl-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoroacetamide?
The canonical SMILES for 2-cyclohexyl-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoroacetamide is C=C(/C=C\C1=CCN(C2CCC(=O)NC2=O)C1=O)CNC(=O)C(F)(F)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoroacetamide?
The InChIKey is UTOBQZWMYYCHCM-FPLPWBNLSA-N. The full InChI is InChI=1S/C22H27F2N3O4/c1-14(13-25-21(31)22(23,24)16-5-3-2-4-6-16)7-8-15-11-12-27(20(15)30)17-9-10-18(28)26-19(17)29/h7-8,11,16-17H,1-6,9-10,12-13H2,(H,25,31)(H,26,28,29)/b8-7-.
What are the key properties of 2-cyclohexyl-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoroacetamide?
2-cyclohexyl-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoroacetamide has a molecular weight of 435.47 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoroacetamide is sourced from PubChem (CID 170311892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).