(3S)-N-(2-chloro-4-methylphenyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide

C23H24ClN3O3 — CID 95098606

IUPAC(3S)-N-(2-chloro-4-methylphenyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
SMILESCCC(=O)N1CCc2cc(N3C[C@@H](C(=O)Nc4ccc(C)cc4Cl)CC3=O)ccc21
InChIInChI=1S/C23H24ClN3O3/c1-3-21(28)26-9-8-15-11-17(5-7-20(15)26)27-13-16(12-22(27)29)23(30)25-19-6-4-14(2)10-18(19)24/h4-7,10-11,16H,3,8-9,12-13H2,1-2H3,(H,25,30)/t16-/m0/s1
InChIKeyCWKOLIOYWAPJJQ-INIZCTEOSA-N
MW425.92 g/mol
LogP3.94
Rot. Bonds4

About (3S)-N-(2-chloro-4-methylphenyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide

(3S)-N-(2-chloro-4-methylphenyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide (PubChem CID 95098606) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is (3S)-N-(2-chloro-4-methylphenyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-chloro-4-methylphenyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
PubChem CID95098606
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Name(3S)-N-(2-chloro-4-methylphenyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
SMILESCCC(=O)N1CCc2cc(N3C[C@@H](C(=O)Nc4ccc(C)cc4Cl)CC3=O)ccc21
InChIInChI=1S/C23H24ClN3O3/c1-3-21(28)26-9-8-15-11-17(5-7-20(15)26)27-13-16(12-22(27)29)23(30)25-19-6-4-14(2)10-18(19)24/h4-7,10-11,16H,3,8-9,12-13H2,1-2H3,(H,25,30)/t16-/m0/s1
InChIKeyCWKOLIOYWAPJJQ-INIZCTEOSA-N
XLogP3.94
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-methylphenyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
CID 53155757
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155646
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098377
N-[(4-methylphenyl)methyl]-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
CID 53155746
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155707
N-(2-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4779713
(3S)-N-[(3-methylphenyl)methyl]-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
CID 95098686
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098335
(3R)-N-(cyclopropylmethyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
CID 95098669
1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155872
N-(2-chloro-4-methylphenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42946788
(3S)-5-oxo-N-[(1R)-1-phenylethyl]-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
CID 95098604

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-chloro-4-methylphenyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-chloro-4-methylphenyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide (CID 95098606) is (3S)-N-(2-chloro-4-methylphenyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-chloro-4-methylphenyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-chloro-4-methylphenyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide is CCC(=O)N1CCc2cc(N3C[C@@H](C(=O)Nc4ccc(C)cc4Cl)CC3=O)ccc21.
What is the InChIKey of (3S)-N-(2-chloro-4-methylphenyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide?
The InChIKey is CWKOLIOYWAPJJQ-INIZCTEOSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-3-21(28)26-9-8-15-11-17(5-7-20(15)26)27-13-16(12-22(27)29)23(30)25-19-6-4-14(2)10-18(19)24/h4-7,10-11,16H,3,8-9,12-13H2,1-2H3,(H,25,30)/t16-/m0/s1.
What are the key properties of (3S)-N-(2-chloro-4-methylphenyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide?
(3S)-N-(2-chloro-4-methylphenyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide has a molecular weight of 425.92 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-chloro-4-methylphenyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 95098606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).