N-butan-2-yl-1-(2,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide

C15H18Cl2N2O2 — CID 46048638

IUPACN-butan-2-yl-1-(2,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCCC(C)NC(=O)C1CCN(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C15H18Cl2N2O2/c1-3-9(2)18-14(20)11-6-7-19(15(11)21)13-5-4-10(16)8-12(13)17/h4-5,8-9,11H,3,6-7H2,1-2H3,(H,18,20)
InChIKeyHKGVKNPTCDCNMW-UHFFFAOYSA-N
MW329.23 g/mol
LogP3.26
Rot. Bonds4

About N-butan-2-yl-1-(2,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide

N-butan-2-yl-1-(2,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 46048638) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is N-butan-2-yl-1-(2,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-(2,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID46048638
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC NameN-butan-2-yl-1-(2,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCCC(C)NC(=O)C1CCN(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C15H18Cl2N2O2/c1-3-9(2)18-14(20)11-6-7-19(15(11)21)13-5-4-10(16)8-12(13)17/h4-5,8-9,11H,3,6-7H2,1-2H3,(H,18,20)
InChIKeyHKGVKNPTCDCNMW-UHFFFAOYSA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(2,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-butan-2-yl-1-(2,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide (CID 46048638) is N-butan-2-yl-1-(2,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-(2,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-1-(2,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide is CCC(C)NC(=O)C1CCN(c2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of N-butan-2-yl-1-(2,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is HKGVKNPTCDCNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c1-3-9(2)18-14(20)11-6-7-19(15(11)21)13-5-4-10(16)8-12(13)17/h4-5,8-9,11H,3,6-7H2,1-2H3,(H,18,20).
What are the key properties of N-butan-2-yl-1-(2,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide?
N-butan-2-yl-1-(2,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 329.23 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(2,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46048638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).