1-(4-chlorophenyl)-N-[3-(diethylaminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C22H26ClN3O2 — CID 55853603

IUPAC1-(4-chlorophenyl)-N-[3-(diethylaminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)Cc1cccc(NC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C22H26ClN3O2/c1-3-25(4-2)14-16-6-5-7-19(12-16)24-22(28)17-13-21(27)26(15-17)20-10-8-18(23)9-11-20/h5-12,17H,3-4,13-15H2,1-2H3,(H,24,28)
InChIKeySWNJMSRBEMMZNW-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.17
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[3-(diethylaminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-(4-chlorophenyl)-N-[3-(diethylaminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55853603) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[3-(diethylaminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[3-(diethylaminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55853603
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name1-(4-chlorophenyl)-N-[3-(diethylaminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)Cc1cccc(NC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C22H26ClN3O2/c1-3-25(4-2)14-16-6-5-7-19(12-16)24-22(28)17-13-21(27)26(15-17)20-10-8-18(23)9-11-20/h5-12,17H,3-4,13-15H2,1-2H3,(H,24,28)
InChIKeySWNJMSRBEMMZNW-UHFFFAOYSA-N
XLogP4.17
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 678914
(3S)-N-(3-ethylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7935157
N-(3-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46687180
1-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55832891
1-(4-chlorophenyl)-N-[3-(2-methylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55852191
(3R)-1-(4-chlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 785744
1-(4-chlorophenyl)-N-[4-(diethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108787236
(3S)-N-[3-(diethylaminomethyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 94143242
(3R)-N-[3-(diethylaminomethyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 94143241
(3R)-1-(4-chlorophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 1103942
N-(3-chlorophenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55544347
1-(4-ethylphenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3155517

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[3-(diethylaminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[3-(diethylaminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 55853603) is 1-(4-chlorophenyl)-N-[3-(diethylaminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[3-(diethylaminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[3-(diethylaminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide is CCN(CC)Cc1cccc(NC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[3-(diethylaminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SWNJMSRBEMMZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-3-25(4-2)14-16-6-5-7-19(12-16)24-22(28)17-13-21(27)26(15-17)20-10-8-18(23)9-11-20/h5-12,17H,3-4,13-15H2,1-2H3,(H,24,28).
What are the key properties of 1-(4-chlorophenyl)-N-[3-(diethylaminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-N-[3-(diethylaminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 399.92 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[3-(diethylaminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55853603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).