1-(4-chloro-3-fluorophenyl)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-oxopyrrolidine-3-carboxamide

C21H18Cl2FN3O2 — CID 66832086

IUPAC1-(4-chloro-3-fluorophenyl)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)C1CCN(c2ccc(Cl)c(F)c2)C1=O
InChIInChI=1S/C21H18Cl2FN3O2/c22-13-1-4-19-16(9-13)12(11-26-19)5-7-25-20(28)15-6-8-27(21(15)29)14-2-3-17(23)18(24)10-14/h1-4,9-11,15,26H,5-8H2,(H,25,28)
InChIKeyHHDSXPFBRILDEP-UHFFFAOYSA-N
MW434.30 g/mol
LogP4.33
Rot. Bonds5

About 1-(4-chloro-3-fluorophenyl)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-oxopyrrolidine-3-carboxamide

1-(4-chloro-3-fluorophenyl)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-oxopyrrolidine-3-carboxamide (PubChem CID 66832086) has the molecular formula C21H18Cl2FN3O2 and a molecular weight of 434.30 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-oxopyrrolidine-3-carboxamide
PubChem CID66832086
Molecular FormulaC21H18Cl2FN3O2
Molecular Weight434.30 g/mol
Exact Mass433.08
IUPAC Name1-(4-chloro-3-fluorophenyl)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)C1CCN(c2ccc(Cl)c(F)c2)C1=O
InChIInChI=1S/C21H18Cl2FN3O2/c22-13-1-4-19-16(9-13)12(11-26-19)5-7-25-20(28)15-6-8-27(21(15)29)14-2-3-17(23)18(24)10-14/h1-4,9-11,15,26H,5-8H2,(H,25,28)
InChIKeyHHDSXPFBRILDEP-UHFFFAOYSA-N
XLogP4.33
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.30
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3-fluoro-4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide
CID 66831801
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 66831856
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 66831953
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(1-methylindol-5-yl)-2-oxopyrrolidine-3-carboxamide
CID 66831944
3-[1-[2-(5-chloro-1H-indol-3-yl)ethylamino]ethenyl]-1-(3-pyrrol-1-ylphenyl)pyrrolidin-2-one
CID 70209880
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-phenylpyrrolidine-3-carboxamide
CID 66832116
1-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)-2-oxopyrrolidine-3-carboxamide
CID 110902862
3-[N-[2-(5-chloro-1H-indol-3-yl)ethyl]-C-methylcarbonimidoyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 91538799
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120984
N-(2-aminoethyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119383815
(3R)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9388624
(3S)-1-(3-chloro-4-methylphenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 9352257

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-oxopyrrolidine-3-carboxamide (CID 66832086) is 1-(4-chloro-3-fluorophenyl)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-oxopyrrolidine-3-carboxamide is O=C(NCCc1c[nH]c2ccc(Cl)cc12)C1CCN(c2ccc(Cl)c(F)c2)C1=O.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-oxopyrrolidine-3-carboxamide?
The InChIKey is HHDSXPFBRILDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2FN3O2/c22-13-1-4-19-16(9-13)12(11-26-19)5-7-25-20(28)15-6-8-27(21(15)29)14-2-3-17(23)18(24)10-14/h1-4,9-11,15,26H,5-8H2,(H,25,28).
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-oxopyrrolidine-3-carboxamide?
1-(4-chloro-3-fluorophenyl)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-oxopyrrolidine-3-carboxamide has a molecular weight of 434.30 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 66832086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).