2-(3-chloro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone

C18H19ClN2O — CID 9099236

IUPAC2-(3-chloro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESCc1c(Cl)cccc1NCC(=O)N1c2ccccc2C[C@H]1C
InChIInChI=1S/C18H19ClN2O/c1-12-10-14-6-3-4-9-17(14)21(12)18(22)11-20-16-8-5-7-15(19)13(16)2/h3-9,12,20H,10-11H2,1-2H3/t12-/m1/s1
InChIKeyVHINZCYWBVPBPR-GFCCVEGCSA-N
MW314.82 g/mol
LogP4.04
Rot. Bonds3

About 2-(3-chloro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone

2-(3-chloro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 9099236) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 2-(3-chloro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chloro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID9099236
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name2-(3-chloro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESCc1c(Cl)cccc1NCC(=O)N1c2ccccc2C[C@H]1C
InChIInChI=1S/C18H19ClN2O/c1-12-10-14-6-3-4-9-17(14)21(12)18(22)11-20-16-8-5-7-15(19)13(16)2/h3-9,12,20H,10-11H2,1-2H3/t12-/m1/s1
InChIKeyVHINZCYWBVPBPR-GFCCVEGCSA-N
XLogP4.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-2-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109038364
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-(2-chloro-4-fluoroanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9099520
2-(2,5-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9079616
2-(2,4-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9081007
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-phenoxyanilino)ethanone
CID 2468474
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(quinolin-8-ylamino)ethanone
CID 109010975
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-(5-fluoro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9099723
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 8598292
2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-(3-chloro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone (CID 9099236) is 2-(3-chloro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-(3-chloro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-(3-chloro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone is Cc1c(Cl)cccc1NCC(=O)N1c2ccccc2C[C@H]1C.
What is the InChIKey of 2-(3-chloro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is VHINZCYWBVPBPR-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19ClN2O/c1-12-10-14-6-3-4-9-17(14)21(12)18(22)11-20-16-8-5-7-15(19)13(16)2/h3-9,12,20H,10-11H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-(3-chloro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
2-(3-chloro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 314.82 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 9099236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).