5-chloro-3-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one

C17H17ClN2O — CID 43098124

IUPAC5-chloro-3-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one
SMILESCC(C)c1ccc(NC2C(=O)Nc3ccc(Cl)cc32)cc1
InChIInChI=1S/C17H17ClN2O/c1-10(2)11-3-6-13(7-4-11)19-16-14-9-12(18)5-8-15(14)20-17(16)21/h3-10,16,19H,1-2H3,(H,20,21)
InChIKeyCQLUSFCPKPTHAZ-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.57
Rot. Bonds3

About 5-chloro-3-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one

5-chloro-3-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one (PubChem CID 43098124) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 5-chloro-3-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one
PubChem CID43098124
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name5-chloro-3-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one
SMILESCC(C)c1ccc(NC2C(=O)Nc3ccc(Cl)cc32)cc1
InChIInChI=1S/C17H17ClN2O/c1-10(2)11-3-6-13(7-4-11)19-16-14-9-12(18)5-8-15(14)20-17(16)21/h3-10,16,19H,1-2H3,(H,20,21)
InChIKeyCQLUSFCPKPTHAZ-UHFFFAOYSA-N
XLogP4.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-3-(3-iodo-4-methylanilino)-1,3-dihydroindol-2-one
CID 43716228
5-chloro-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one
CID 43097456
5-chloro-3-(1H-pyrazol-4-ylamino)-1,3-dihydroindol-2-one
CID 43539934
5-chloro-3-(3-methoxyanilino)-1,3-dihydroindol-2-one
CID 43196411
3-(1-benzothiophen-5-ylamino)-5-chloro-1,3-dihydroindol-2-one
CID 43687791
3-(4-bromo-2,6-dichloroanilino)-5-chloro-1,3-dihydroindol-2-one
CID 43126586
3-(3,5-dichloroanilino)-5-methyl-1,3-dihydroindol-2-one
CID 43098558
3-(3-chloro-4-fluoroanilino)-5-fluoro-1,3-dihydroindol-2-one
CID 43119152
5-chloro-3-(2,3-dihydro-1-benzofuran-5-ylamino)-1,3-dihydroindol-2-one
CID 43732708
5-chloro-3-(2,3,4-trifluoroanilino)-1,3-dihydroindol-2-one
CID 43095076
3-(5-bromo-2-fluoroanilino)-5-chloro-1,3-dihydroindol-2-one
CID 43555314
5-chloro-3-(1-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one
CID 43206055

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one (CID 43098124) is 5-chloro-3-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one is CC(C)c1ccc(NC2C(=O)Nc3ccc(Cl)cc32)cc1.
What is the InChIKey of 5-chloro-3-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one?
The InChIKey is CQLUSFCPKPTHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-10(2)11-3-6-13(7-4-11)19-16-14-9-12(18)5-8-15(14)20-17(16)21/h3-10,16,19H,1-2H3,(H,20,21).
What are the key properties of 5-chloro-3-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one?
5-chloro-3-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one has a molecular weight of 300.79 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43098124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).