N-(4-chlorophenyl)-N-(3-chloropropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

C15H18Cl2N2O2 — CID 139916332

IUPACN-(4-chlorophenyl)-N-(3-chloropropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)N(CCCCl)c2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C15H18Cl2N2O2/c1-18-10-11(9-14(18)20)15(21)19(8-2-7-16)13-5-3-12(17)4-6-13/h3-6,11H,2,7-10H2,1H3
InChIKeyBZLHHJLESFUVQR-UHFFFAOYSA-N
MW329.23 g/mol
LogP2.78
Rot. Bonds5

About N-(4-chlorophenyl)-N-(3-chloropropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

N-(4-chlorophenyl)-N-(3-chloropropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 139916332) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-(3-chloropropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-(3-chloropropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID139916332
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC NameN-(4-chlorophenyl)-N-(3-chloropropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)N(CCCCl)c2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C15H18Cl2N2O2/c1-18-10-11(9-14(18)20)15(21)19(8-2-7-16)13-5-3-12(17)4-6-13/h3-6,11H,2,7-10H2,1H3
InChIKeyBZLHHJLESFUVQR-UHFFFAOYSA-N
XLogP2.78
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-(3-chloropropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-N-(3-chloropropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 139916332) is N-(4-chlorophenyl)-N-(3-chloropropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-(3-chloropropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-N-(3-chloropropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1CC(C(=O)N(CCCCl)c2ccc(Cl)cc2)CC1=O.
What is the InChIKey of N-(4-chlorophenyl)-N-(3-chloropropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BZLHHJLESFUVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c1-18-10-11(9-14(18)20)15(21)19(8-2-7-16)13-5-3-12(17)4-6-13/h3-6,11H,2,7-10H2,1H3.
What are the key properties of N-(4-chlorophenyl)-N-(3-chloropropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
N-(4-chlorophenyl)-N-(3-chloropropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 329.23 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-(3-chloropropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 139916332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).