(2R)-1-[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide

C22H23ClFN3O3 — CID 69058942

IUPAC(2R)-1-[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCOc1ccccc1C1(N2CC(F)C[C@@H]2C(=O)N(C)C)C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C22H23ClFN3O3/c1-26(2)20(28)18-11-14(24)12-27(18)22(15-6-4-5-7-19(15)30-3)16-10-13(23)8-9-17(16)25-21(22)29/h4-10,14,18H,11-12H2,1-3H3,(H,25,29)/t14?,18-,22?/m1/s1
InChIKeyMCYYFYLZCRGJGK-LYNDWLEASA-N
MW431.90 g/mol
LogP3.04
Rot. Bonds4

About (2R)-1-[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide

(2R)-1-[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 69058942) has the molecular formula C22H23ClFN3O3 and a molecular weight of 431.90 g/mol. Its IUPAC name is (2R)-1-[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID69058942
Molecular FormulaC22H23ClFN3O3
Molecular Weight431.90 g/mol
Exact Mass431.14
IUPAC Name(2R)-1-[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCOc1ccccc1C1(N2CC(F)C[C@@H]2C(=O)N(C)C)C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C22H23ClFN3O3/c1-26(2)20(28)18-11-14(24)12-27(18)22(15-6-4-5-7-19(15)30-3)16-10-13(23)8-9-17(16)25-21(22)29/h4-10,14,18H,11-12H2,1-3H3,(H,25,29)/t14?,18-,22?/m1/s1
InChIKeyMCYYFYLZCRGJGK-LYNDWLEASA-N
XLogP3.04
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.90
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-1-[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]-4-fluoropyrrolidine-2-carboxylic acid
CID 69299092
(2S)-1-[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]-N-ethyl-4-fluoropyrrolidine-2-carboxamide
CID 67428596
(2S,4R)-1-[5-chloro-3-(2-methoxy-3-methylphenyl)-2-oxo-1H-indol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
CID 67430958
(2S,4R)-1-[5-chloro-3-(2-methoxy-5-pyridin-4-ylphenyl)-2-oxo-1H-indol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
CID 67427934
(2S,4R)-1-[5-chloro-3-(2-methoxy-5-methylphenyl)-2-oxo-1H-indol-3-yl]-4-(cyanomethoxy)-N,N-dimethylpyrrolidine-2-carboxamide
CID 67428856
(2S)-1-[3-(2-methoxyphenyl)-2-oxo-5-(trifluoromethoxy)-1H-indol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 69105176
(2S)-1-[5-chloro-3-(2,3-diethoxyphenyl)-2-oxo-1H-indol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 69108302
(2S,4R)-1-[3-(1,3-benzodioxol-5-yl)-5-chloro-2-oxo-1H-indol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
CID 67431039
(2S,4R)-1-[5-cyano-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 143257723
(2S,4R)-1-[5-chloro-3-(2,4-dimethoxypyrimidin-5-yl)-2-oxo-1H-indol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide;(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
CID 158606458
2-[(3R,5S)-1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]oxyacetic acid
CID 69412386
(2S,4R)-1-[1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]sulfonyl-5-chloro-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
CID 59867949

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide (CID 69058942) is (2R)-1-[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide is COc1ccccc1C1(N2CC(F)C[C@@H]2C(=O)N(C)C)C(=O)Nc2ccc(Cl)cc21.
What is the InChIKey of (2R)-1-[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is MCYYFYLZCRGJGK-LYNDWLEASA-N. The full InChI is InChI=1S/C22H23ClFN3O3/c1-26(2)20(28)18-11-14(24)12-27(18)22(15-6-4-5-7-19(15)30-3)16-10-13(23)8-9-17(16)25-21(22)29/h4-10,14,18H,11-12H2,1-3H3,(H,25,29)/t14?,18-,22?/m1/s1.
What are the key properties of (2R)-1-[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide?
(2R)-1-[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 431.90 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 69058942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).