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

C16H16Cl2N2O3 — CID 91500804

IUPAC1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-methyl-4,5-dioxopyrrolidine-3-carboxamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CN(C2CC2)C(=O)C1=O
InChIInChI=1S/C16H16Cl2N2O3/c1-19(7-9-2-5-12(17)13(18)6-9)15(22)11-8-20(10-3-4-10)16(23)14(11)21/h2,5-6,10-11H,3-4,7-8H2,1H3
InChIKeyIVBARNLYFKNICU-UHFFFAOYSA-N
MW355.22 g/mol
LogP2.14
Rot. Bonds4

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

1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-methyl-4,5-dioxopyrrolidine-3-carboxamide (PubChem CID 91500804) has the molecular formula C16H16Cl2N2O3 and a molecular weight of 355.22 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-methyl-4,5-dioxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-methyl-4,5-dioxopyrrolidine-3-carboxamide
PubChem CID91500804
Molecular FormulaC16H16Cl2N2O3
Molecular Weight355.22 g/mol
Exact Mass354.05
IUPAC Name1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-methyl-4,5-dioxopyrrolidine-3-carboxamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CN(C2CC2)C(=O)C1=O
InChIInChI=1S/C16H16Cl2N2O3/c1-19(7-9-2-5-12(17)13(18)6-9)15(22)11-8-20(10-3-4-10)16(23)14(11)21/h2,5-6,10-11H,3-4,7-8H2,1H3
InChIKeyIVBARNLYFKNICU-UHFFFAOYSA-N
XLogP2.14
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 52.14
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

2-[3-[4-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]-2,3-dioxopyrrolidin-1-yl]propanoylamino]acetic acid
CID 91310424
1-cyclopropyl-N-[4-(3,4-dichlorophenyl)butan-2-yl]-4,5-dioxopyrrolidine-3-carboxamide
CID 71544458
N-[(3,4-dichlorophenyl)methyl]-1-[4-(methanesulfonamido)-4-oxobutyl]-N-methyl-4,5-dioxopyrrolidine-3-carboxamide
CID 91068498
2-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976691
N-[(3,5-dichlorophenyl)methyl]-N,1-dimethyl-4,5-dioxopyrrolidine-3-carboxamide
CID 90923086
4-(aminomethyl)-N-[(3,4-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79512383
9-amino-N-[(3,4-dichlorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983505
N-[(3,4-dichlorophenyl)methyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 111123262
2-cyclopentyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 78771137
2-(4-aminopiperidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 119908936
2-cyclohexyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 112792431
tert-butyl 4-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]piperidine-1-carboxylate
CID 31189919

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-methyl-4,5-dioxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-methyl-4,5-dioxopyrrolidine-3-carboxamide (CID 91500804) is 1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-methyl-4,5-dioxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-methyl-4,5-dioxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-methyl-4,5-dioxopyrrolidine-3-carboxamide is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CN(C2CC2)C(=O)C1=O.
What is the InChIKey of 1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-methyl-4,5-dioxopyrrolidine-3-carboxamide?
The InChIKey is IVBARNLYFKNICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3/c1-19(7-9-2-5-12(17)13(18)6-9)15(22)11-8-20(10-3-4-10)16(23)14(11)21/h2,5-6,10-11H,3-4,7-8H2,1H3.
What are the key properties of 1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-methyl-4,5-dioxopyrrolidine-3-carboxamide?
1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-methyl-4,5-dioxopyrrolidine-3-carboxamide has a molecular weight of 355.22 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-methyl-4,5-dioxopyrrolidine-3-carboxamide is sourced from PubChem (CID 91500804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).