1-(4-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

C21H23ClN2O3 — CID 55825479

IUPAC1-(4-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1CCNC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H23ClN2O3/c1-14-3-8-19(27-2)15(11-14)9-10-23-21(26)16-12-20(25)24(13-16)18-6-4-17(22)5-7-18/h3-8,11,16H,9-10,12-13H2,1-2H3,(H,23,26)
InChIKeyMUZDZMNZYDHLSG-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.37
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

1-(4-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55825479) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55825479
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name1-(4-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1CCNC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H23ClN2O3/c1-14-3-8-19(27-2)15(11-14)9-10-23-21(26)16-12-20(25)24(13-16)18-6-4-17(22)5-7-18/h3-8,11,16H,9-10,12-13H2,1-2H3,(H,23,26)
InChIKeyMUZDZMNZYDHLSG-UHFFFAOYSA-N
XLogP3.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39968150
1-(3-fluoro-4-methylphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42939893
1-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46587015
1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113187460
1-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 6463324
(3R)-1-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 7337211
1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 2844952
1-(3,4-dimethoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 110614916
(3R)-N-[2-(2,4-dichlorophenyl)ethyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017561
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650789
(3R)-1-(4-chlorophenyl)-N-[2-(cyclopropanecarbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94168240
N-[2-(2-methoxyphenyl)ethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46587014

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 55825479) is 1-(4-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(C)cc1CCNC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MUZDZMNZYDHLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-14-3-8-19(27-2)15(11-14)9-10-23-21(26)16-12-20(25)24(13-16)18-6-4-17(22)5-7-18/h3-8,11,16H,9-10,12-13H2,1-2H3,(H,23,26).
What are the key properties of 1-(4-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55825479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).