1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C19H19ClN2O2 — CID 4877450

IUPAC1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C19H19ClN2O2/c20-17-9-5-4-8-15(17)11-21-19(24)16-10-18(23)22(13-16)12-14-6-2-1-3-7-14/h1-9,16H,10-13H2,(H,21,24)
InChIKeyBCPYBZGRQDKLHD-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.00
Rot. Bonds5

About 1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 4877450) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID4877450
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C19H19ClN2O2/c20-17-9-5-4-8-15(17)11-21-19(24)16-10-18(23)22(13-16)12-14-6-2-1-3-7-14/h1-9,16H,10-13H2,(H,21,24)
InChIKeyBCPYBZGRQDKLHD-UHFFFAOYSA-N
XLogP3.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.00
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-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 4877450) is 1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCc1ccccc1Cl)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BCPYBZGRQDKLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c20-17-9-5-4-8-15(17)11-21-19(24)16-10-18(23)22(13-16)12-14-6-2-1-3-7-14/h1-9,16H,10-13H2,(H,21,24).
What are the key properties of 1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 3.00, 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-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 4877450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).