N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(5-ethoxypyrazin-2-yl)-2-methylpropanamide

C22H24ClFN4O4 — CID 176846748

IUPACN-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(5-ethoxypyrazin-2-yl)-2-methylpropanamide
SMILESCCOc1cnc(C(C)(C)C(=O)NCc2cc(F)c(C3CCC(=O)NC3=O)c(Cl)c2)cn1
InChIInChI=1S/C22H24ClFN4O4/c1-4-32-18-11-25-16(10-26-18)22(2,3)21(31)27-9-12-7-14(23)19(15(24)8-12)13-5-6-17(29)28-20(13)30/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,27,31)(H,28,29,30)
InChIKeyRGVALPUMCNVZFB-UHFFFAOYSA-N
MW462.91 g/mol
LogP2.78
Rot. Bonds7

About N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(5-ethoxypyrazin-2-yl)-2-methylpropanamide

N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(5-ethoxypyrazin-2-yl)-2-methylpropanamide (PubChem CID 176846748) has the molecular formula C22H24ClFN4O4 and a molecular weight of 462.91 g/mol. Its IUPAC name is N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(5-ethoxypyrazin-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(5-ethoxypyrazin-2-yl)-2-methylpropanamide
PubChem CID176846748
Molecular FormulaC22H24ClFN4O4
Molecular Weight462.91 g/mol
Exact Mass462.15
IUPAC NameN-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(5-ethoxypyrazin-2-yl)-2-methylpropanamide
SMILESCCOc1cnc(C(C)(C)C(=O)NCc2cc(F)c(C3CCC(=O)NC3=O)c(Cl)c2)cn1
InChIInChI=1S/C22H24ClFN4O4/c1-4-32-18-11-25-16(10-26-18)22(2,3)21(31)27-9-12-7-14(23)19(15(24)8-12)13-5-6-17(29)28-20(13)30/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,27,31)(H,28,29,30)
InChIKeyRGVALPUMCNVZFB-UHFFFAOYSA-N
XLogP2.78
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.91
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(5-ethoxypyrazin-2-yl)-2-methylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(5-ethoxypyrazin-2-yl)-2-methylpropanamide?
The IUPAC name of N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(5-ethoxypyrazin-2-yl)-2-methylpropanamide (CID 176846748) is N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(5-ethoxypyrazin-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(5-ethoxypyrazin-2-yl)-2-methylpropanamide?
The canonical SMILES for N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(5-ethoxypyrazin-2-yl)-2-methylpropanamide is CCOc1cnc(C(C)(C)C(=O)NCc2cc(F)c(C3CCC(=O)NC3=O)c(Cl)c2)cn1.
What is the InChIKey of N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(5-ethoxypyrazin-2-yl)-2-methylpropanamide?
The InChIKey is RGVALPUMCNVZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN4O4/c1-4-32-18-11-25-16(10-26-18)22(2,3)21(31)27-9-12-7-14(23)19(15(24)8-12)13-5-6-17(29)28-20(13)30/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,27,31)(H,28,29,30).
What are the key properties of N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(5-ethoxypyrazin-2-yl)-2-methylpropanamide?
N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(5-ethoxypyrazin-2-yl)-2-methylpropanamide has a molecular weight of 462.91 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)-5-fluorophenyl]methyl]-2-(5-ethoxypyrazin-2-yl)-2-methylpropanamide is sourced from PubChem (CID 176846748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).