1-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-2-oxopyrrolidine-3-carboxamide

C18H26ClN3O2 — CID 20964259

IUPAC1-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-2-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)CCCNC(=O)C1CCN(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C18H26ClN3O2/c1-3-21(4-2)12-5-11-20-17(23)16-10-13-22(18(16)24)15-8-6-14(19)7-9-15/h6-9,16H,3-5,10-13H2,1-2H3,(H,20,23)
InChIKeyKTYICXZZLPWETB-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.54
Rot. Bonds8

About 1-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-2-oxopyrrolidine-3-carboxamide

1-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-2-oxopyrrolidine-3-carboxamide (PubChem CID 20964259) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-2-oxopyrrolidine-3-carboxamide
PubChem CID20964259
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name1-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-2-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)CCCNC(=O)C1CCN(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C18H26ClN3O2/c1-3-21(4-2)12-5-11-20-17(23)16-10-13-22(18(16)24)15-8-6-14(19)7-9-15/h6-9,16H,3-5,10-13H2,1-2H3,(H,20,23)
InChIKeyKTYICXZZLPWETB-UHFFFAOYSA-N
XLogP2.54
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(4-chlorophenyl)-2-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 95056108
(3S)-1-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 92750593
1-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 46347377
1-(4-chlorophenyl)-N-(2-ethyl-2-hydroxybutyl)-2-oxopyrrolidine-3-carboxamide
CID 111483243
1-(4-chlorophenyl)-N,N-diethyl-2-oxopyrrolidine-3-carboxamide
CID 20964248
N-(3-aminopropyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119409081
(3S)-1-(4-chlorophenyl)-N-ethoxy-2-oxopyrrolidine-3-carboxamide
CID 94211690
1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 55883884
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 50797712
1-(4-chlorophenyl)-N-(2-hydroxy-2,3-dimethylbutyl)-2-oxopyrrolidine-3-carboxamide
CID 111483766
(3R)-1-(4-chlorophenyl)-2-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 92986922
1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 50797741

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-2-oxopyrrolidine-3-carboxamide (CID 20964259) is 1-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-2-oxopyrrolidine-3-carboxamide is CCN(CC)CCCNC(=O)C1CCN(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 1-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-2-oxopyrrolidine-3-carboxamide?
The InChIKey is KTYICXZZLPWETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c1-3-21(4-2)12-5-11-20-17(23)16-10-13-22(18(16)24)15-8-6-14(19)7-9-15/h6-9,16H,3-5,10-13H2,1-2H3,(H,20,23).
What are the key properties of 1-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-2-oxopyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-2-oxopyrrolidine-3-carboxamide has a molecular weight of 351.88 g/mol, XLogP of 2.54, 8 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-(diethylamino)propyl]-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 20964259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).