2-(2,5-dichlorophenyl)-5,7-dimethyl-2,3-dihydro-1H-indole

C16H15Cl2N — CID 3395417

IUPAC2-(2,5-dichlorophenyl)-5,7-dimethyl-2,3-dihydro-1H-indole
SMILESCc1cc(C)c2c(c1)CC(c1cc(Cl)ccc1Cl)N2
InChIInChI=1S/C16H15Cl2N/c1-9-5-10(2)16-11(6-9)7-15(19-16)13-8-12(17)3-4-14(13)18/h3-6,8,15,19H,7H2,1-2H3
InChIKeyJWOQHNPTRKVYNI-UHFFFAOYSA-N
MW292.21 g/mol
LogP5.32
Rot. Bonds1

About 2-(2,5-dichlorophenyl)-5,7-dimethyl-2,3-dihydro-1H-indole

2-(2,5-dichlorophenyl)-5,7-dimethyl-2,3-dihydro-1H-indole (PubChem CID 3395417) has the molecular formula C16H15Cl2N and a molecular weight of 292.21 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-5,7-dimethyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-5,7-dimethyl-2,3-dihydro-1H-indole
PubChem CID3395417
Molecular FormulaC16H15Cl2N
Molecular Weight292.21 g/mol
Exact Mass291.06
IUPAC Name2-(2,5-dichlorophenyl)-5,7-dimethyl-2,3-dihydro-1H-indole
SMILESCc1cc(C)c2c(c1)CC(c1cc(Cl)ccc1Cl)N2
InChIInChI=1S/C16H15Cl2N/c1-9-5-10(2)16-11(6-9)7-15(19-16)13-8-12(17)3-4-14(13)18/h3-6,8,15,19H,7H2,1-2H3
InChIKeyJWOQHNPTRKVYNI-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.21
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-5,7-dimethyl-2,3-dihydro-1H-indole?
The IUPAC name of 2-(2,5-dichlorophenyl)-5,7-dimethyl-2,3-dihydro-1H-indole (CID 3395417) is 2-(2,5-dichlorophenyl)-5,7-dimethyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-5,7-dimethyl-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(2,5-dichlorophenyl)-5,7-dimethyl-2,3-dihydro-1H-indole is Cc1cc(C)c2c(c1)CC(c1cc(Cl)ccc1Cl)N2.
What is the InChIKey of 2-(2,5-dichlorophenyl)-5,7-dimethyl-2,3-dihydro-1H-indole?
The InChIKey is JWOQHNPTRKVYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N/c1-9-5-10(2)16-11(6-9)7-15(19-16)13-8-12(17)3-4-14(13)18/h3-6,8,15,19H,7H2,1-2H3.
What are the key properties of 2-(2,5-dichlorophenyl)-5,7-dimethyl-2,3-dihydro-1H-indole?
2-(2,5-dichlorophenyl)-5,7-dimethyl-2,3-dihydro-1H-indole has a molecular weight of 292.21 g/mol, XLogP of 5.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-5,7-dimethyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 3395417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).