2-(4-chlorophenyl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide

C23H18ClFN2O3S — CID 23970967

IUPAC2-(4-chlorophenyl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C1CC(N(Cc2cccs2)C(=O)Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C23H18ClFN2O3S/c24-16-5-3-15(4-6-16)12-21(28)26(14-19-2-1-11-31-19)20-13-22(29)27(23(20)30)18-9-7-17(25)8-10-18/h1-11,20H,12-14H2
InChIKeyAAELVTLVFBXXQG-UHFFFAOYSA-N
MW456.93 g/mol
LogP4.44
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide

2-(4-chlorophenyl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 23970967) has the molecular formula C23H18ClFN2O3S and a molecular weight of 456.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID23970967
Molecular FormulaC23H18ClFN2O3S
Molecular Weight456.93 g/mol
Exact Mass456.07
IUPAC Name2-(4-chlorophenyl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C1CC(N(Cc2cccs2)C(=O)Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C23H18ClFN2O3S/c24-16-5-3-15(4-6-16)12-21(28)26(14-19-2-1-11-31-19)20-13-22(29)27(23(20)30)18-9-7-17(25)8-10-18/h1-11,20H,12-14H2
InChIKeyAAELVTLVFBXXQG-UHFFFAOYSA-N
XLogP4.44
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.93
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 23943015
ethyl 4-[3-[[2-(4-chlorophenyl)acetyl]-(thiophen-2-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23970966
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 23916590
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 23745386
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23998802
2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)acetamide
CID 23998801
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 23745204
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 23943166
N-benzyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenylacetamide
CID 23943061
ethyl 4-[3-[[2-(4-chlorophenyl)acetyl]-(furan-2-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23743770
N-[(2-chlorophenyl)methyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenylacetamide
CID 23887054
N-tert-butyl-2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23970972

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 23970967) is 2-(4-chlorophenyl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide is O=C1CC(N(Cc2cccs2)C(=O)Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is AAELVTLVFBXXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN2O3S/c24-16-5-3-15(4-6-16)12-21(28)26(14-19-2-1-11-31-19)20-13-22(29)27(23(20)30)18-9-7-17(25)8-10-18/h1-11,20H,12-14H2.
What are the key properties of 2-(4-chlorophenyl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-(4-chlorophenyl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 456.93 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 23970967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).