1-[(4-chlorophenyl)methyl]-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C21H23ClN2O2 — CID 113183735

IUPAC1-[(4-chlorophenyl)methyl]-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1CC(=O)N(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C21H23ClN2O2/c1-14(2)18-5-3-4-6-19(18)23-21(26)16-11-20(25)24(13-16)12-15-7-9-17(22)10-8-15/h3-10,14,16H,11-13H2,1-2H3,(H,23,26)
InChIKeyZWMVJIKWYFEOEU-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.45
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide

1-[(4-chlorophenyl)methyl]-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 113183735) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID113183735
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name1-[(4-chlorophenyl)methyl]-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1CC(=O)N(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C21H23ClN2O2/c1-14(2)18-5-3-4-6-19(18)23-21(26)16-11-20(25)24(13-16)12-15-7-9-17(22)10-8-15/h3-10,14,16H,11-13H2,1-2H3,(H,23,26)
InChIKeyZWMVJIKWYFEOEU-UHFFFAOYSA-N
XLogP4.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-chlorophenyl)ethyl]-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113185837
1-benzyl-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 18079780
5-oxo-1-(3-phenylpropyl)-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113185328
1-[2-(4-chlorophenyl)ethyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185041
1-[3-(dimethylamino)propyl]-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 108787269
1-[(4-chlorophenyl)methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 43923926
(3R)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502392
(3S)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502393
(3R)-N-(3-acetamidophenyl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 29130415
(3S)-1-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35767596
1-[(4-chlorophenyl)methyl]-N-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650919
1-benzyl-N-(2-tert-butylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17396518

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 113183735) is 1-[(4-chlorophenyl)methyl]-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide is CC(C)c1ccccc1NC(=O)C1CC(=O)N(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is ZWMVJIKWYFEOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-14(2)18-5-3-4-6-19(18)23-21(26)16-11-20(25)24(13-16)12-15-7-9-17(22)10-8-15/h3-10,14,16H,11-13H2,1-2H3,(H,23,26).
What are the key properties of 1-[(4-chlorophenyl)methyl]-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113183735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).