N-(3,4-dichlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide

C13H12Cl2N2O3 — CID 818168

IUPACN-(3,4-dichlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide
SMILESCC(=O)N(CN1C(=O)CCC1=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H12Cl2N2O3/c1-8(18)16(7-17-12(19)4-5-13(17)20)9-2-3-10(14)11(15)6-9/h2-3,6H,4-5,7H2,1H3
InChIKeySNOKPPPNFMKLEK-UHFFFAOYSA-N
MW315.16 g/mol
LogP2.45
Rot. Bonds3

About N-(3,4-dichlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide

N-(3,4-dichlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide (PubChem CID 818168) has the molecular formula C13H12Cl2N2O3 and a molecular weight of 315.16 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide
PubChem CID818168
Molecular FormulaC13H12Cl2N2O3
Molecular Weight315.16 g/mol
Exact Mass314.02
IUPAC NameN-(3,4-dichlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide
SMILESCC(=O)N(CN1C(=O)CCC1=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H12Cl2N2O3/c1-8(18)16(7-17-12(19)4-5-13(17)20)9-2-3-10(14)11(15)6-9/h2-3,6H,4-5,7H2,1H3
InChIKeySNOKPPPNFMKLEK-UHFFFAOYSA-N
XLogP2.45
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 52.45
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

Diuron
CID 3120
Methazole
CID 4690
2,5-Piperidinedione, 1-(3,4-dichlorophenyl)-
CID 670632
N'-(3,4-Dichlorophenyl)-N,N-diethylurea
CID 84980
N-(3-chlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide
CID 617161
1-Isopropyl-5-oxo-pyrrolidine-3-carboxylic acid (3,4-dichloro-phenyl)-amide
CID 3157649
N~1~-(3,4-Dichlorophenyl)-4-oxo-4-(1-pyrrolidinyl)butanamide
CID 6456953
Succinimide, N-(p-chloroanilinomethyl)-
CID 142254
3-[4-(3,4-Dichlorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione
CID 660305
2-Pyrrolidinone, 5-(4-(3,4-dichlorophenyl)-1-piperazinyl)-
CID 3021870
Hydantoin, 3-(3,4-dichlorophenyl)-5,5-dimethyl-
CID 3043683
2,4(1H,3H)-Pyrimidinedione, dihydro-3-(2,3-dichlorophenyl)-1-methyl-
CID 3063673

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide (CID 818168) is N-(3,4-dichlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide is CC(=O)N(CN1C(=O)CCC1=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide?
The InChIKey is SNOKPPPNFMKLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O3/c1-8(18)16(7-17-12(19)4-5-13(17)20)9-2-3-10(14)11(15)6-9/h2-3,6H,4-5,7H2,1H3.
What are the key properties of N-(3,4-dichlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide?
N-(3,4-dichlorophenyl)-N-[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide has a molecular weight of 315.16 g/mol, XLogP of 2.45, 3 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-[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide is sourced from PubChem (CID 818168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).