3-(4-chloro-2-methylanilino)-5-methyl-1,3-dihydroindol-2-one

C16H15ClN2O — CID 43201943

IUPAC3-(4-chloro-2-methylanilino)-5-methyl-1,3-dihydroindol-2-one
SMILESCc1ccc2c(c1)C(Nc1ccc(Cl)cc1C)C(=O)N2
InChIInChI=1S/C16H15ClN2O/c1-9-3-5-14-12(7-9)15(16(20)19-14)18-13-6-4-11(17)8-10(13)2/h3-8,15,18H,1-2H3,(H,19,20)
InChIKeyJUQDMPDCLPQIHA-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.06
Rot. Bonds2

About 3-(4-chloro-2-methylanilino)-5-methyl-1,3-dihydroindol-2-one

3-(4-chloro-2-methylanilino)-5-methyl-1,3-dihydroindol-2-one (PubChem CID 43201943) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 3-(4-chloro-2-methylanilino)-5-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(4-chloro-2-methylanilino)-5-methyl-1,3-dihydroindol-2-one
PubChem CID43201943
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name3-(4-chloro-2-methylanilino)-5-methyl-1,3-dihydroindol-2-one
SMILESCc1ccc2c(c1)C(Nc1ccc(Cl)cc1C)C(=O)N2
InChIInChI=1S/C16H15ClN2O/c1-9-3-5-14-12(7-9)15(16(20)19-14)18-13-6-4-11(17)8-10(13)2/h3-8,15,18H,1-2H3,(H,19,20)
InChIKeyJUQDMPDCLPQIHA-UHFFFAOYSA-N
XLogP4.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one
CID 43097456
3-(2,4-dimethylanilino)-1,3-dihydroindol-2-one
CID 43189774
3-(3,5-dichloroanilino)-5-methyl-1,3-dihydroindol-2-one
CID 43098558
5-chloro-3-(2,3,4-trifluoroanilino)-1,3-dihydroindol-2-one
CID 43095076
3-(2-bromoanilino)-5-methyl-1,3-dihydroindol-2-one
CID 43194493
3-(2,4-dimethoxyanilino)-5-methyl-1,3-dihydroindol-2-one
CID 43823453
3-(4-bromo-2-chloroanilino)-5-chloro-1,3-dihydroindol-2-one
CID 43347233
3-(2,6-difluoroanilino)-5-methyl-1,3-dihydroindol-2-one
CID 43123963
3-[2-(dimethylamino)anilino]-5-methyl-1,3-dihydroindol-2-one
CID 43726504
5-methyl-3-(2-propan-2-ylanilino)-1,3-dihydroindol-2-one
CID 43192468
3-(5-bromo-2-fluoroanilino)-5-chloro-1,3-dihydroindol-2-one
CID 43555314
5-chloro-3-(3-iodo-4-methylanilino)-1,3-dihydroindol-2-one
CID 43716228

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methylanilino)-5-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-(4-chloro-2-methylanilino)-5-methyl-1,3-dihydroindol-2-one (CID 43201943) is 3-(4-chloro-2-methylanilino)-5-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(4-chloro-2-methylanilino)-5-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(4-chloro-2-methylanilino)-5-methyl-1,3-dihydroindol-2-one is Cc1ccc2c(c1)C(Nc1ccc(Cl)cc1C)C(=O)N2.
What is the InChIKey of 3-(4-chloro-2-methylanilino)-5-methyl-1,3-dihydroindol-2-one?
The InChIKey is JUQDMPDCLPQIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-9-3-5-14-12(7-9)15(16(20)19-14)18-13-6-4-11(17)8-10(13)2/h3-8,15,18H,1-2H3,(H,19,20).
What are the key properties of 3-(4-chloro-2-methylanilino)-5-methyl-1,3-dihydroindol-2-one?
3-(4-chloro-2-methylanilino)-5-methyl-1,3-dihydroindol-2-one has a molecular weight of 286.76 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methylanilino)-5-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 43201943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).