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

C14H14Cl2N2O3 — CID 90923086

IUPACN-[(3,5-dichlorophenyl)methyl]-N,1-dimethyl-4,5-dioxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C(=O)C1=O
InChIInChI=1S/C14H14Cl2N2O3/c1-17(6-8-3-9(15)5-10(16)4-8)13(20)11-7-18(2)14(21)12(11)19/h3-5,11H,6-7H2,1-2H3
InChIKeyOHWNFFVIDIDWDC-UHFFFAOYSA-N
MW329.18 g/mol
LogP1.61
Rot. Bonds3

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

N-[(3,5-dichlorophenyl)methyl]-N,1-dimethyl-4,5-dioxopyrrolidine-3-carboxamide (PubChem CID 90923086) has the molecular formula C14H14Cl2N2O3 and a molecular weight of 329.18 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-N,1-dimethyl-4,5-dioxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-N,1-dimethyl-4,5-dioxopyrrolidine-3-carboxamide
PubChem CID90923086
Molecular FormulaC14H14Cl2N2O3
Molecular Weight329.18 g/mol
Exact Mass328.04
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-N,1-dimethyl-4,5-dioxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C(=O)C1=O
InChIInChI=1S/C14H14Cl2N2O3/c1-17(6-8-3-9(15)5-10(16)4-8)13(20)11-7-18(2)14(21)12(11)19/h3-5,11H,6-7H2,1-2H3
InChIKeyOHWNFFVIDIDWDC-UHFFFAOYSA-N
XLogP1.61
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 51.61
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'}

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

1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-methyl-4,5-dioxopyrrolidine-3-carboxamide
CID 91500804
5-[(3,5-dichlorophenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688168
4-(aminomethyl)-N-[(3,5-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79511292
N-[(4-fluorophenyl)methyl]-N-methyl-4,5-dioxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 91460941
2-[3-[4-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]-2,3-dioxopyrrolidin-1-yl]propanoylamino]acetic acid
CID 91310424
3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 63045904
N-[(3,4-dichlorophenyl)methyl]-1-[4-(methanesulfonamido)-4-oxobutyl]-N-methyl-4,5-dioxopyrrolidine-3-carboxamide
CID 91068498
N-[(4-fluorophenyl)methyl]-N-methyl-4,5-dioxo-1-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 90692035
N-benzyl-1-[2-(3-chlorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113185793
N-[(3,5-dichlorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60960333
2-(cyclopropylmethylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide
CID 54872632
N-[[3-(4-chlorophenyl)phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide
CID 123724704

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-N,1-dimethyl-4,5-dioxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-N,1-dimethyl-4,5-dioxopyrrolidine-3-carboxamide (CID 90923086) is N-[(3,5-dichlorophenyl)methyl]-N,1-dimethyl-4,5-dioxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-N,1-dimethyl-4,5-dioxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-N,1-dimethyl-4,5-dioxopyrrolidine-3-carboxamide is CN1CC(C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C(=O)C1=O.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-N,1-dimethyl-4,5-dioxopyrrolidine-3-carboxamide?
The InChIKey is OHWNFFVIDIDWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O3/c1-17(6-8-3-9(15)5-10(16)4-8)13(20)11-7-18(2)14(21)12(11)19/h3-5,11H,6-7H2,1-2H3.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-N,1-dimethyl-4,5-dioxopyrrolidine-3-carboxamide?
N-[(3,5-dichlorophenyl)methyl]-N,1-dimethyl-4,5-dioxopyrrolidine-3-carboxamide has a molecular weight of 329.18 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-N,1-dimethyl-4,5-dioxopyrrolidine-3-carboxamide is sourced from PubChem (CID 90923086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).