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

C23H24ClN3O2 — CID 9352257

IUPAC(3S)-1-(3-chloro-4-methylphenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc2[nH]cc(CCNC(=O)[C@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)c2c1
InChIInChI=1S/C23H24ClN3O2/c1-14-3-6-21-19(9-14)16(12-26-21)7-8-25-23(29)17-10-22(28)27(13-17)18-5-4-15(2)20(24)11-18/h3-6,9,11-12,17,26H,7-8,10,13H2,1-2H3,(H,25,29)/t17-/m0/s1
InChIKeyAETXUOUHLHCDSV-KRWDZBQOSA-N
MW409.92 g/mol
LogP4.15
Rot. Bonds5

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

(3S)-1-(3-chloro-4-methylphenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 9352257) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is (3S)-1-(3-chloro-4-methylphenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-chloro-4-methylphenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID9352257
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC Name(3S)-1-(3-chloro-4-methylphenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc2[nH]cc(CCNC(=O)[C@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)c2c1
InChIInChI=1S/C23H24ClN3O2/c1-14-3-6-21-19(9-14)16(12-26-21)7-8-25-23(29)17-10-22(28)27(13-17)18-5-4-15(2)20(24)11-18/h3-6,9,11-12,17,26H,7-8,10,13H2,1-2H3,(H,25,29)/t17-/m0/s1
InChIKeyAETXUOUHLHCDSV-KRWDZBQOSA-N
XLogP4.15
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17310667
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120984
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 17081927
(3R)-1-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 7337211
(3R)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9388624
(3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 9351944
1-(3-chloro-4-methylphenyl)-N-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113187806
1-(2-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113187381
(3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7263441
1-[4-(dimethylamino)phenyl]-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113189626
N-(3-methylbutyl)-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 25247390
3-[[(3R)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propyl-dimethylazanium
CID 9351895

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-chloro-4-methylphenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-chloro-4-methylphenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 9352257) is (3S)-1-(3-chloro-4-methylphenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-chloro-4-methylphenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-chloro-4-methylphenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc2[nH]cc(CCNC(=O)[C@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)c2c1.
What is the InChIKey of (3S)-1-(3-chloro-4-methylphenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AETXUOUHLHCDSV-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c1-14-3-6-21-19(9-14)16(12-26-21)7-8-25-23(29)17-10-22(28)27(13-17)18-5-4-15(2)20(24)11-18/h3-6,9,11-12,17,26H,7-8,10,13H2,1-2H3,(H,25,29)/t17-/m0/s1.
What are the key properties of (3S)-1-(3-chloro-4-methylphenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(3-chloro-4-methylphenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 409.92 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-chloro-4-methylphenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9352257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).