N-(4-chlorophenyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide

C19H19ClN2O2 — CID 2964380

IUPACN-(4-chlorophenyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
SMILESCC(c1ccccc1)N1CC(C(=O)Nc2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C19H19ClN2O2/c1-13(14-5-3-2-4-6-14)22-12-15(11-18(22)23)19(24)21-17-9-7-16(20)8-10-17/h2-10,13,15H,11-12H2,1H3,(H,21,24)
InChIKeyBWMGRHSZLQLCAV-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.89
Rot. Bonds4

About N-(4-chlorophenyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide

N-(4-chlorophenyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 2964380) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID2964380
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC NameN-(4-chlorophenyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
SMILESCC(c1ccccc1)N1CC(C(=O)Nc2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C19H19ClN2O2/c1-13(14-5-3-2-4-6-14)22-12-15(11-18(22)23)19(24)21-17-9-7-16(20)8-10-17/h2-10,13,15H,11-12H2,1H3,(H,21,24)
InChIKeyBWMGRHSZLQLCAV-UHFFFAOYSA-N
XLogP3.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide (CID 2964380) is N-(4-chlorophenyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide is CC(c1ccccc1)N1CC(C(=O)Nc2ccc(Cl)cc2)CC1=O.
What is the InChIKey of N-(4-chlorophenyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is BWMGRHSZLQLCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-13(14-5-3-2-4-6-14)22-12-15(11-18(22)23)19(24)21-17-9-7-16(20)8-10-17/h2-10,13,15H,11-12H2,1H3,(H,21,24).
What are the key properties of N-(4-chlorophenyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide?
N-(4-chlorophenyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 2964380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).