1-(4-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide

C20H21ClN2O4 — CID 110374043

IUPAC1-(4-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(OCCNC(=O)C2CCC(=O)N2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H21ClN2O4/c1-26-16-6-8-17(9-7-16)27-13-12-22-20(25)18-10-11-19(24)23(18)15-4-2-14(21)3-5-15/h2-9,18H,10-13H2,1H3,(H,22,25)
InChIKeyJDQQJPKUHPMQNK-UHFFFAOYSA-N
MW388.85 g/mol
LogP3.04
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide

1-(4-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 110374043) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID110374043
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC Name1-(4-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(OCCNC(=O)C2CCC(=O)N2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H21ClN2O4/c1-26-16-6-8-17(9-7-16)27-13-12-22-20(25)18-10-11-19(24)23(18)15-4-2-14(21)3-5-15/h2-9,18H,10-13H2,1H3,(H,22,25)
InChIKeyJDQQJPKUHPMQNK-UHFFFAOYSA-N
XLogP3.04
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
CID 110374046
1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110374015
methyl (2R)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 42261094
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452
(2S)-1-(4-chlorophenyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-5-oxopyrrolidine-2-carboxamide
CID 67953374
1-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110373994
N-[2-(3-methoxyphenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373767
(3R)-N-[2-(4-chlorophenoxy)ethyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30135344
N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785674
1-(2,5-dichlorobenzoyl)-N-[2-(4-methoxyphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 55607440
N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 46434634
N-[2-(4-chlorophenoxy)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18273088

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide (CID 110374043) is 1-(4-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide is COc1ccc(OCCNC(=O)C2CCC(=O)N2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is JDQQJPKUHPMQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c1-26-16-6-8-17(9-7-16)27-13-12-22-20(25)18-10-11-19(24)23(18)15-4-2-14(21)3-5-15/h2-9,18H,10-13H2,1H3,(H,22,25).
What are the key properties of 1-(4-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide?
1-(4-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 388.85 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110374043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).