(2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide

C20H20ClN3O2 — CID 7549116

IUPAC(2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESC[C@H]1Cc2ccccc2N1C(=O)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H20ClN3O2/c1-13-10-14-4-2-3-5-18(14)24(13)20(26)22-16-11-19(25)23(12-16)17-8-6-15(21)7-9-17/h2-9,13,16H,10-12H2,1H3,(H,22,26)/t13-,16-/m0/s1
InChIKeyGSGLVGUNOVIIQQ-BBRMVZONSA-N
MW369.85 g/mol
LogP3.61
Rot. Bonds2

About (2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide

(2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide (PubChem CID 7549116) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is (2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
PubChem CID7549116
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name(2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESC[C@H]1Cc2ccccc2N1C(=O)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H20ClN3O2/c1-13-10-14-4-2-3-5-18(14)24(13)20(26)22-16-11-19(25)23(12-16)17-8-6-15(21)7-9-17/h2-9,13,16H,10-12H2,1H3,(H,22,26)/t13-,16-/m0/s1
InChIKeyGSGLVGUNOVIIQQ-BBRMVZONSA-N
XLogP3.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-methyl-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide
CID 7513834
(2S)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 7548134
(2S)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 7215317
(2R)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 7543403
(2R)-N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 7547287
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazin-4-ium-1-carboxamide
CID 7548682
(2R,6R)-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide
CID 7548675
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 41106609
N-(1-benzylpiperidin-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 112824331
N-[1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide
CID 163235831
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
CID 113189841
(2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-ethylpiperidine-1-carboxamide
CID 7548618

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of (2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide (CID 7549116) is (2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for (2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for (2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide is C[C@H]1Cc2ccccc2N1C(=O)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of (2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is GSGLVGUNOVIIQQ-BBRMVZONSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-13-10-14-4-2-3-5-18(14)24(13)20(26)22-16-11-19(25)23(12-16)17-8-6-15(21)7-9-17/h2-9,13,16H,10-12H2,1H3,(H,22,26)/t13-,16-/m0/s1.
What are the key properties of (2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide?
(2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 369.85 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 7549116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).