2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide

C21H20ClFN2O3 — CID 126464486

IUPAC2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CC1(c2ccccc2Cl)CC(=O)N(C)C1=O
InChIInChI=1S/C21H20ClFN2O3/c1-24(13-14-7-9-15(23)10-8-14)18(26)11-21(12-19(27)25(2)20(21)28)16-5-3-4-6-17(16)22/h3-10H,11-13H2,1-2H3
InChIKeyMPPDJTLPILYVBQ-UHFFFAOYSA-N
MW402.85 g/mol
LogP3.15
Rot. Bonds5

About 2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide

2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 126464486) has the molecular formula C21H20ClFN2O3 and a molecular weight of 402.85 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
PubChem CID126464486
Molecular FormulaC21H20ClFN2O3
Molecular Weight402.85 g/mol
Exact Mass402.11
IUPAC Name2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CC1(c2ccccc2Cl)CC(=O)N(C)C1=O
InChIInChI=1S/C21H20ClFN2O3/c1-24(13-14-7-9-15(23)10-8-14)18(26)11-21(12-19(27)25(2)20(21)28)16-5-3-4-6-17(16)22/h3-10H,11-13H2,1-2H3
InChIKeyMPPDJTLPILYVBQ-UHFFFAOYSA-N
XLogP3.15
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.85
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3R)-3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 26350172
N-butyl-2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
CID 45175129
ethyl 2-[[2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]acetyl]-methylamino]acetate
CID 126463819
2-[3-(2-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide
CID 126462351
N-benzyl-2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
CID 126462106
2-[3-(2-chlorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(naphthalen-1-ylmethyl)acetamide
CID 45227178
2-[(3S)-3-(2-chlorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide
CID 125157100
N-benzyl-2-[(3R)-1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
CID 42162480
2-[3-(2-chlorophenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 45184895
2-[(3R)-3-(2-chlorophenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 26283222
2-[3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 118756108
(3R)-3-(2-chlorophenyl)-3-[2-[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione
CID 42192322

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide (CID 126464486) is 2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide is CN(Cc1ccc(F)cc1)C(=O)CC1(c2ccccc2Cl)CC(=O)N(C)C1=O.
What is the InChIKey of 2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is MPPDJTLPILYVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN2O3/c1-24(13-14-7-9-15(23)10-8-14)18(26)11-21(12-19(27)25(2)20(21)28)16-5-3-4-6-17(16)22/h3-10H,11-13H2,1-2H3.
What are the key properties of 2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 402.85 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 126464486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).