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

C18H23ClN2O3 — CID 45175129

IUPACN-butyl-2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
SMILESCCCCN(C)C(=O)CC1(c2ccccc2Cl)CC(=O)N(C)C1=O
InChIInChI=1S/C18H23ClN2O3/c1-4-5-10-20(2)15(22)11-18(12-16(23)21(3)17(18)24)13-8-6-7-9-14(13)19/h6-9H,4-5,10-12H2,1-3H3
InChIKeyWUVCTWZFSPZNJU-UHFFFAOYSA-N
MW350.85 g/mol
LogP2.62
Rot. Bonds6

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

N-butyl-2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide (PubChem CID 45175129) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is N-butyl-2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
PubChem CID45175129
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC NameN-butyl-2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
SMILESCCCCN(C)C(=O)CC1(c2ccccc2Cl)CC(=O)N(C)C1=O
InChIInChI=1S/C18H23ClN2O3/c1-4-5-10-20(2)15(22)11-18(12-16(23)21(3)17(18)24)13-8-6-7-9-14(13)19/h6-9H,4-5,10-12H2,1-3H3
InChIKeyWUVCTWZFSPZNJU-UHFFFAOYSA-N
XLogP2.62
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of N-butyl-2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide (CID 45175129) is N-butyl-2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-butyl-2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for N-butyl-2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide is CCCCN(C)C(=O)CC1(c2ccccc2Cl)CC(=O)N(C)C1=O.
What is the InChIKey of N-butyl-2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is WUVCTWZFSPZNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O3/c1-4-5-10-20(2)15(22)11-18(12-16(23)21(3)17(18)24)13-8-6-7-9-14(13)19/h6-9H,4-5,10-12H2,1-3H3.
What are the key properties of N-butyl-2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide?
N-butyl-2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 350.85 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 45175129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).