1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide

C21H20ClN3O2 — CID 50745087

IUPAC1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1
InChIInChI=1S/C21H20ClN3O2/c22-16-6-7-19-18(11-16)14(12-23-19)8-9-25-13-15(10-20(25)26)21(27)24-17-4-2-1-3-5-17/h1-7,11-12,15,23H,8-10,13H2,(H,24,27)
InChIKeyHECQLPJGCVDRRX-UHFFFAOYSA-N
MW381.86 g/mol
LogP3.85
Rot. Bonds5

About 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide

1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide (PubChem CID 50745087) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
PubChem CID50745087
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1
InChIInChI=1S/C21H20ClN3O2/c22-16-6-7-19-18(11-16)14(12-23-19)8-9-25-13-15(10-20(25)26)21(27)24-17-4-2-1-3-5-17/h1-7,11-12,15,23H,8-10,13H2,(H,24,27)
InChIKeyHECQLPJGCVDRRX-UHFFFAOYSA-N
XLogP3.85
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 92717730
1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113184907
N-(3-bromophenyl)-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 50745085
(3S)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 40966304
(3S)-N-(3-acetamidophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42560657
N-(3,4-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46172106
N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184948
1-butyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17082685
(4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
CID 40975344
(3S)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 40966314
1-[2-(2,4-dichlorophenyl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185915
N-(3,5-dichlorophenyl)-1-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184309

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide (CID 50745087) is 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide is O=C(Nc1ccccc1)C1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1.
What is the InChIKey of 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The InChIKey is HECQLPJGCVDRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c22-16-6-7-19-18(11-16)14(12-23-19)8-9-25-13-15(10-20(25)26)21(27)24-17-4-2-1-3-5-17/h1-7,11-12,15,23H,8-10,13H2,(H,24,27).
What are the key properties of 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide?
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide has a molecular weight of 381.86 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 50745087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).