(3R)-1-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C22H22ClN3O3 — CID 7337211

IUPAC(3R)-1-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)c2c1
InChIInChI=1S/C22H22ClN3O3/c1-29-18-6-7-20-19(11-18)14(12-25-20)8-9-24-22(28)15-10-21(27)26(13-15)17-4-2-16(23)3-5-17/h2-7,11-12,15,25H,8-10,13H2,1H3,(H,24,28)/t15-/m1/s1
InChIKeyVGCCVKPUXCJHKF-OAHLLOKOSA-N
MW411.89 g/mol
LogP3.54
Rot. Bonds6

About (3R)-1-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 7337211) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is (3R)-1-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID7337211
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC Name(3R)-1-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)c2c1
InChIInChI=1S/C22H22ClN3O3/c1-29-18-6-7-20-19(11-18)14(12-25-20)8-9-24-22(28)15-10-21(27)26(13-15)17-4-2-16(23)3-5-17/h2-7,11-12,15,25H,8-10,13H2,1H3,(H,24,28)/t15-/m1/s1
InChIKeyVGCCVKPUXCJHKF-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)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9388624
(3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7263441
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120984
1-(4-fluorophenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17310667
(3R)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29140215
(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
1-(4-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 55825479
1-[4-(dimethylamino)phenyl]-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113189626
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 90489383
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 17081927
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 15991912

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 7337211) is (3R)-1-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)c2c1.
What is the InChIKey of (3R)-1-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VGCCVKPUXCJHKF-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c1-29-18-6-7-20-19(11-18)14(12-25-20)8-9-24-22(28)15-10-21(27)26(13-15)17-4-2-16(23)3-5-17/h2-7,11-12,15,25H,8-10,13H2,1H3,(H,24,28)/t15-/m1/s1.
What are the key properties of (3R)-1-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-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)-1-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 7337211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).