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

C22H21ClFN3O3 — CID 66831801

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3-fluoro-4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CCC(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)C2=O)cc1F
InChIInChI=1S/C22H21ClFN3O3/c1-30-20-5-3-15(11-18(20)24)27-9-7-16(22(27)29)21(28)25-8-6-13-12-26-19-4-2-14(23)10-17(13)19/h2-5,10-12,16,26H,6-9H2,1H3,(H,25,28)
InChIKeyNAZXHTWJDAZOSH-UHFFFAOYSA-N
MW429.88 g/mol
LogP3.68
Rot. Bonds6

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

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3-fluoro-4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 66831801) has the molecular formula C22H21ClFN3O3 and a molecular weight of 429.88 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3-fluoro-4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3-fluoro-4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID66831801
Molecular FormulaC22H21ClFN3O3
Molecular Weight429.88 g/mol
Exact Mass429.13
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3-fluoro-4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CCC(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)C2=O)cc1F
InChIInChI=1S/C22H21ClFN3O3/c1-30-20-5-3-15(11-18(20)24)27-9-7-16(22(27)29)21(28)25-8-6-13-12-26-19-4-2-14(23)10-17(13)19/h2-5,10-12,16,26H,6-9H2,1H3,(H,25,28)
InChIKeyNAZXHTWJDAZOSH-UHFFFAOYSA-N
XLogP3.68
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.88
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-3-fluorophenyl)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 66832086
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
(3R)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9388624
3-[N-[2-(5-chloro-1H-indol-3-yl)ethyl]-C-methylcarbonimidoyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 91538799
(3R)-1-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 7337211
1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 50797741
(3S)-1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 94079963
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120984
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-phenylpyrrolidine-3-carboxamide
CID 66832116

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3-fluoro-4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3-fluoro-4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide (CID 66831801) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3-fluoro-4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3-fluoro-4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3-fluoro-4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide is COc1ccc(N2CCC(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)C2=O)cc1F.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3-fluoro-4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is NAZXHTWJDAZOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN3O3/c1-30-20-5-3-15(11-18(20)24)27-9-7-16(22(27)29)21(28)25-8-6-13-12-26-19-4-2-14(23)10-17(13)19/h2-5,10-12,16,26H,6-9H2,1H3,(H,25,28).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3-fluoro-4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3-fluoro-4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 429.88 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3-fluoro-4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 66831801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).