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

C22H22ClN3O3 — CID 9388624

IUPAC(3R)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2C[C@H](C(=O)NCCc3c[nH]c4ccc(Cl)cc34)CC2=O)c1
InChIInChI=1S/C22H22ClN3O3/c1-29-18-4-2-3-17(11-18)26-13-15(9-21(26)27)22(28)24-8-7-14-12-25-20-6-5-16(23)10-19(14)20/h2-6,10-12,15,25H,7-9,13H2,1H3,(H,24,28)/t15-/m1/s1
InChIKeyHMIFYBHCUZXHEE-OAHLLOKOSA-N
MW411.89 g/mol
LogP3.54
Rot. Bonds6

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

(3R)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 9388624) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is (3R)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID9388624
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC Name(3R)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2C[C@H](C(=O)NCCc3c[nH]c4ccc(Cl)cc34)CC2=O)c1
InChIInChI=1S/C22H22ClN3O3/c1-29-18-4-2-3-17(11-18)26-13-15(9-21(26)27)22(28)24-8-7-14-12-25-20-6-5-16(23)10-19(14)20/h2-6,10-12,15,25H,7-9,13H2,1H3,(H,24,28)/t15-/m1/s1
InChIKeyHMIFYBHCUZXHEE-OAHLLOKOSA-N
XLogP3.54
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 7337211
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120984
(3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7263441
(3S)-N-[2-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29135725
(3S)-1-(3-chloro-4-methylphenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 9352257
1-(2,5-dimethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42952582
N-[2-(2-fluorophenyl)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46558078
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 90489383
1-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46587015
1-butyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17082685
(3S)-N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29134760
1-(3-chlorophenyl)-N-[2-[(3-methoxybenzoyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42953112

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 9388624) is (3R)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cccc(N2C[C@H](C(=O)NCCc3c[nH]c4ccc(Cl)cc34)CC2=O)c1.
What is the InChIKey of (3R)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HMIFYBHCUZXHEE-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c1-29-18-4-2-3-17(11-18)26-13-15(9-21(26)27)22(28)24-8-7-14-12-25-20-6-5-16(23)10-19(14)20/h2-6,10-12,15,25H,7-9,13H2,1H3,(H,24,28)/t15-/m1/s1.
What are the key properties of (3R)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 411.89 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9388624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).