2-(5-chloro-2-morpholin-4-ylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone

C21H24ClN3O2 — CID 7778266

IUPAC2-(5-chloro-2-morpholin-4-ylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)CNc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C21H24ClN3O2/c1-15-12-16-4-2-3-5-19(16)25(15)21(26)14-23-18-13-17(22)6-7-20(18)24-8-10-27-11-9-24/h2-7,13,15,23H,8-12,14H2,1H3/t15-/m1/s1
InChIKeyZXWKVHXQHNWUBL-OAHLLOKOSA-N
MW385.90 g/mol
LogP3.57
Rot. Bonds4

About 2-(5-chloro-2-morpholin-4-ylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone

2-(5-chloro-2-morpholin-4-ylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 7778266) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 2-(5-chloro-2-morpholin-4-ylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-chloro-2-morpholin-4-ylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID7778266
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name2-(5-chloro-2-morpholin-4-ylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)CNc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C21H24ClN3O2/c1-15-12-16-4-2-3-5-19(16)25(15)21(26)14-23-18-13-17(22)6-7-20(18)24-8-10-27-11-9-24/h2-7,13,15,23H,8-12,14H2,1H3/t15-/m1/s1
InChIKeyZXWKVHXQHNWUBL-OAHLLOKOSA-N
XLogP3.57
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-chloro-2-morpholin-4-ylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone with MolForge

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Related Compounds

3-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide
CID 108956535
2-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 37223631
2-(2-chloro-4-fluoroanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9099520
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylanilino)ethanone
CID 25390599
2-(3-chloro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9099236
2-(2,4-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9081007
2-(2,5-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9079616
N-(5-chloro-2-methylphenyl)-2-(2-morpholin-4-ylanilino)acetamide
CID 109008560
2-(2-acetylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9103764
2-(2-tert-butylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 109008215
2-(5-fluoro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9099723
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone
CID 109011151

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-morpholin-4-ylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-(5-chloro-2-morpholin-4-ylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone (CID 7778266) is 2-(5-chloro-2-morpholin-4-ylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-(5-chloro-2-morpholin-4-ylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-(5-chloro-2-morpholin-4-ylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone is C[C@@H]1Cc2ccccc2N1C(=O)CNc1cc(Cl)ccc1N1CCOCC1.
What is the InChIKey of 2-(5-chloro-2-morpholin-4-ylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is ZXWKVHXQHNWUBL-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-15-12-16-4-2-3-5-19(16)25(15)21(26)14-23-18-13-17(22)6-7-20(18)24-8-10-27-11-9-24/h2-7,13,15,23H,8-12,14H2,1H3/t15-/m1/s1.
What are the key properties of 2-(5-chloro-2-morpholin-4-ylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
2-(5-chloro-2-morpholin-4-ylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 385.90 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-morpholin-4-ylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 7778266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).