N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C22H26FN3O4 — CID 71909399

IUPACN-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NC3CCC(N4C(=O)CCC4=O)CC3)CC2=O)c(F)c1
InChIInChI=1S/C22H26FN3O4/c1-13-2-7-18(17(23)10-13)25-12-14(11-21(25)29)22(30)24-15-3-5-16(6-4-15)26-19(27)8-9-20(26)28/h2,7,10,14-16H,3-6,8-9,11-12H2,1H3,(H,24,30)
InChIKeyJAGQWYSXPZOAPM-UHFFFAOYSA-N
MW415.47 g/mol
LogP2.06
Rot. Bonds4

About N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 71909399) has the molecular formula C22H26FN3O4 and a molecular weight of 415.47 g/mol. Its IUPAC name is N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID71909399
Molecular FormulaC22H26FN3O4
Molecular Weight415.47 g/mol
Exact Mass415.19
IUPAC NameN-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NC3CCC(N4C(=O)CCC4=O)CC3)CC2=O)c(F)c1
InChIInChI=1S/C22H26FN3O4/c1-13-2-7-18(17(23)10-13)25-12-14(11-21(25)29)22(30)24-15-3-5-16(6-4-15)26-19(27)8-9-20(26)28/h2,7,10,14-16H,3-6,8-9,11-12H2,1H3,(H,24,30)
InChIKeyJAGQWYSXPZOAPM-UHFFFAOYSA-N
XLogP2.06
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 95126966
N-cyclohexyl-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160138
N-cyclooctyl-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17152206
(3S)-N-cyclohexyl-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220443
N-(2,5-dichlorophenyl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46686200
(3R)-1-(2-fluorophenyl)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 39710585
1-(2-fluoro-4-methylphenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-oxopyrrolidine-3-carboxamide
CID 111697139
1-(2-fluoro-4-methylphenyl)-N-(3-hydroxybutyl)-5-oxopyrrolidine-3-carboxamide
CID 111429196
1-(2-fluoro-4-methylphenyl)-N-[(1-hydroxycyclobutyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 111539807
N-(4-amino-3,5-dichlorophenyl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55628688
N-(3,5-dimethoxyphenyl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55604531
1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-methylpiperidine-4-carboxamide
CID 55607540

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 71909399) is N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)NC3CCC(N4C(=O)CCC4=O)CC3)CC2=O)c(F)c1.
What is the InChIKey of N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JAGQWYSXPZOAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O4/c1-13-2-7-18(17(23)10-13)25-12-14(11-21(25)29)22(30)24-15-3-5-16(6-4-15)26-19(27)8-9-20(26)28/h2,7,10,14-16H,3-6,8-9,11-12H2,1H3,(H,24,30).
What are the key properties of N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 415.47 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 71909399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).