N-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide

C19H15Cl2FN2O3 — CID 90713739

IUPACN-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)N(Cc2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)C(=O)C1=O
InChIInChI=1S/C19H15Cl2FN2O3/c1-23-10-14(17(25)19(23)27)18(26)24(9-11-2-4-12(22)5-3-11)13-6-7-15(20)16(21)8-13/h2-8,14H,9-10H2,1H3
InChIKeyYCRZQIMORXVEIN-UHFFFAOYSA-N
MW409.24 g/mol
LogP3.32
Rot. Bonds4

About N-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide

N-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide (PubChem CID 90713739) has the molecular formula C19H15Cl2FN2O3 and a molecular weight of 409.24 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide
PubChem CID90713739
Molecular FormulaC19H15Cl2FN2O3
Molecular Weight409.24 g/mol
Exact Mass408.04
IUPAC NameN-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)N(Cc2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)C(=O)C1=O
InChIInChI=1S/C19H15Cl2FN2O3/c1-23-10-14(17(25)19(23)27)18(26)24(9-11-2-4-12(22)5-3-11)13-6-7-15(20)16(21)8-13/h2-8,14H,9-10H2,1H3
InChIKeyYCRZQIMORXVEIN-UHFFFAOYSA-N
XLogP3.32
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.24
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-acetyl-N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]-1-piperidyl]propyl]piperidine-4-carboxamide
CID 3013684
2-(3,4-dichloro-N-methylanilino)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 44561123
(S)-2-((3,4-dichlorophenyl)(methyl)amino)-N-methyl-N-(1-phenyl-2-(pyrrolidin-1-yl)ethyl)acetamide
CID 44561156
N-{2-[benzyl(methyl)amino]ethyl}-1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 3240700
(R)-2-((3,4-dichlorophenyl)(methyl)amino)-N-methyl-N-(1-phenyl-2-(pyrrolidin-1-yl)ethyl)acetamide
CID 44593421
N-(3,4-Dichlorophenyl)-N-{3-[4-(4-fluorobenzyl)piperidin-1-yl]propyl}-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 514996
1-acetyl-N-(3,4-dichlorophenyl)-N-[4-[4-[(4-fluorophenyl)methyl]-1-piperidyl]butyl]piperidine-4-carboxamide
CID 3013691
N-(3,4-dichlorophenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 68365514
N-(3-chlorophenyl)-1-(2-fluoro-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 68365601
1-benzyl-N-(3-chloro-4-fluorophenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 2952196
N-(4-chlorophenyl)-4,5-dioxo-1-phenylpyrrolidine-3-carboxamide
CID 12263859
N-[3-(4-Benzylpiperidin-1-yl)propyl]-N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 514988

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide (CID 90713739) is N-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide is CN1CC(C(=O)N(Cc2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)C(=O)C1=O.
What is the InChIKey of N-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide?
The InChIKey is YCRZQIMORXVEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2FN2O3/c1-23-10-14(17(25)19(23)27)18(26)24(9-11-2-4-12(22)5-3-11)13-6-7-15(20)16(21)8-13/h2-8,14H,9-10H2,1H3.
What are the key properties of N-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide?
N-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide has a molecular weight of 409.24 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide is sourced from PubChem (CID 90713739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).