N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide

C22H20ClFN2O4 — CID 23745254

IUPACN-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C1CC(N(CC2CCCO2)C(=O)c2ccccc2F)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C22H20ClFN2O4/c23-14-7-9-15(10-8-14)26-20(27)12-19(22(26)29)25(13-16-4-3-11-30-16)21(28)17-5-1-2-6-18(17)24/h1-2,5-10,16,19H,3-4,11-13H2
InChIKeyYNLQUIWZDNUTBN-UHFFFAOYSA-N
MW430.86 g/mol
LogP3.43
Rot. Bonds5

About N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide

N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 23745254) has the molecular formula C22H20ClFN2O4 and a molecular weight of 430.86 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide
PubChem CID23745254
Molecular FormulaC22H20ClFN2O4
Molecular Weight430.86 g/mol
Exact Mass430.11
IUPAC NameN-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C1CC(N(CC2CCCO2)C(=O)c2ccccc2F)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C22H20ClFN2O4/c23-14-7-9-15(10-8-14)26-20(27)12-19(22(26)29)25(13-16-4-3-11-30-16)21(28)17-5-1-2-6-18(17)24/h1-2,5-10,16,19H,3-4,11-13H2
InChIKeyYNLQUIWZDNUTBN-UHFFFAOYSA-N
XLogP3.43
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.86
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide 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

N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 23860686
N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluorobenzamide
CID 23944461
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 23916588
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 23802087
[4-[2,5-dioxo-3-[oxolan-2-ylmethyl-(2-phenylacetyl)amino]pyrrolidin-1-yl]phenyl] acetate
CID 23971005
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 23944470
N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-fluorobenzamide
CID 23972517
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 23916590
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-prop-2-enylbenzamide
CID 23745245
ethyl 4-[3-[(4-chloro-3-nitrobenzoyl)-(oxolan-2-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23832196
(E)-4-[[(3S)-1-(2,6-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[[(2S)-oxolan-2-yl]methyl]amino]-4-oxobut-2-enoic acid
CID 40922378
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide
CID 23943123

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide (CID 23745254) is N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide is O=C1CC(N(CC2CCCO2)C(=O)c2ccccc2F)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is YNLQUIWZDNUTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O4/c23-14-7-9-15(10-8-14)26-20(27)12-19(22(26)29)25(13-16-4-3-11-30-16)21(28)17-5-1-2-6-18(17)24/h1-2,5-10,16,19H,3-4,11-13H2.
What are the key properties of N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide?
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 430.86 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 23745254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).