N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1H-imidazol-5-yl)-2-methylpropanamide

C19H20Cl2N4O3 — CID 176846824

IUPACN-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1H-imidazol-5-yl)-2-methylpropanamide
SMILESCC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cnc[nH]1
InChIInChI=1S/C19H20Cl2N4O3/c1-19(2,14-8-22-9-24-14)18(28)23-7-10-5-12(20)16(13(21)6-10)11-3-4-15(26)25-17(11)27/h5-6,8-9,11H,3-4,7H2,1-2H3,(H,22,24)(H,23,28)(H,25,26,27)
InChIKeyPIWNAZHELMHMJL-UHFFFAOYSA-N
MW423.30 g/mol
LogP2.83
Rot. Bonds5

About N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1H-imidazol-5-yl)-2-methylpropanamide

N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1H-imidazol-5-yl)-2-methylpropanamide (PubChem CID 176846824) has the molecular formula C19H20Cl2N4O3 and a molecular weight of 423.30 g/mol. Its IUPAC name is N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1H-imidazol-5-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1H-imidazol-5-yl)-2-methylpropanamide
PubChem CID176846824
Molecular FormulaC19H20Cl2N4O3
Molecular Weight423.30 g/mol
Exact Mass422.09
IUPAC NameN-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1H-imidazol-5-yl)-2-methylpropanamide
SMILESCC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cnc[nH]1
InChIInChI=1S/C19H20Cl2N4O3/c1-19(2,14-8-22-9-24-14)18(28)23-7-10-5-12(20)16(13(21)6-10)11-3-4-15(26)25-17(11)27/h5-6,8-9,11H,3-4,7H2,1-2H3,(H,22,24)(H,23,28)(H,25,26,27)
InChIKeyPIWNAZHELMHMJL-UHFFFAOYSA-N
XLogP2.83
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(5-fluoropyrimidin-2-yl)-2-methylpropanamide
CID 176846759
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-(6-methyl-3-pyridinyl)propanamide
CID 176846793
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-(1,2-oxazol-3-yl)propanamide
CID 176846823
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-(5-methyl-1,3-oxazol-4-yl)propanamide
CID 176846835
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1-ethyl-2-oxo-4-pyridinyl)-2-methylpropanamide
CID 176846777
2-(4-cyano-2-pyridinyl)-N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methylpropanamide
CID 176846888
N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(5-ethoxypyrazin-2-yl)-2-methylpropanamide
CID 176846748
N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-pyridin-4-ylpropanamide
CID 176846930
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3-(4-fluorophenyl)oxolane-3-carboxamide
CID 176846924
3-(4-bromo-2,6-dichlorophenyl)piperidine-2,6-dione
CID 171541392
1-(3-chloro-4-methylphenyl)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-7-yl]methyl]urea
CID 164563310
3-[4-(3-aminoazetidin-1-yl)-2,6-dichlorophenyl]piperidine-2,6-dione
CID 171541166

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1H-imidazol-5-yl)-2-methylpropanamide?
The IUPAC name of N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1H-imidazol-5-yl)-2-methylpropanamide (CID 176846824) is N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1H-imidazol-5-yl)-2-methylpropanamide.
What is the SMILES notation for N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1H-imidazol-5-yl)-2-methylpropanamide?
The canonical SMILES for N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1H-imidazol-5-yl)-2-methylpropanamide is CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cnc[nH]1.
What is the InChIKey of N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1H-imidazol-5-yl)-2-methylpropanamide?
The InChIKey is PIWNAZHELMHMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O3/c1-19(2,14-8-22-9-24-14)18(28)23-7-10-5-12(20)16(13(21)6-10)11-3-4-15(26)25-17(11)27/h5-6,8-9,11H,3-4,7H2,1-2H3,(H,22,24)(H,23,28)(H,25,26,27).
What are the key properties of N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1H-imidazol-5-yl)-2-methylpropanamide?
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1H-imidazol-5-yl)-2-methylpropanamide has a molecular weight of 423.30 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1H-imidazol-5-yl)-2-methylpropanamide is sourced from PubChem (CID 176846824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).