1-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C19H18Cl2N2O2 — CID 4880709

IUPAC1-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C19H18Cl2N2O2/c20-16-7-6-14(17(21)9-16)10-22-19(25)15-8-18(24)23(12-15)11-13-4-2-1-3-5-13/h1-7,9,15H,8,10-12H2,(H,22,25)
InChIKeyNBEOSAFVNPGHAS-UHFFFAOYSA-N
MW377.27 g/mol
LogP3.66
Rot. Bonds5

About 1-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

1-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 4880709) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is 1-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID4880709
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC Name1-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C19H18Cl2N2O2/c20-16-7-6-14(17(21)9-16)10-22-19(25)15-8-18(24)23(12-15)11-13-4-2-1-3-5-13/h1-7,9,15H,8,10-12H2,(H,22,25)
InChIKeyNBEOSAFVNPGHAS-UHFFFAOYSA-N
XLogP3.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 4880709) is 1-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NBEOSAFVNPGHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c20-16-7-6-14(17(21)9-16)10-22-19(25)15-8-18(24)23(12-15)11-13-4-2-1-3-5-13/h1-7,9,15H,8,10-12H2,(H,22,25).
What are the key properties of 1-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 377.27 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 4880709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).