4,6-dichloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-indole

C16H15Cl2N — CID 3997786

IUPAC4,6-dichloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-indole
SMILESCc1ccc(C)c(C2Cc3c(Cl)cc(Cl)cc3N2)c1
InChIInChI=1S/C16H15Cl2N/c1-9-3-4-10(2)12(5-9)16-8-13-14(18)6-11(17)7-15(13)19-16/h3-7,16,19H,8H2,1-2H3
InChIKeyOPGGZJZZATXVLO-UHFFFAOYSA-N
MW292.21 g/mol
LogP5.32
Rot. Bonds1

About 4,6-dichloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-indole

4,6-dichloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-indole (PubChem CID 3997786) has the molecular formula C16H15Cl2N and a molecular weight of 292.21 g/mol. Its IUPAC name is 4,6-dichloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4,6-dichloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-indole
PubChem CID3997786
Molecular FormulaC16H15Cl2N
Molecular Weight292.21 g/mol
Exact Mass291.06
IUPAC Name4,6-dichloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-indole
SMILESCc1ccc(C)c(C2Cc3c(Cl)cc(Cl)cc3N2)c1
InChIInChI=1S/C16H15Cl2N/c1-9-3-4-10(2)12(5-9)16-8-13-14(18)6-11(17)7-15(13)19-16/h3-7,16,19H,8H2,1-2H3
InChIKeyOPGGZJZZATXVLO-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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Related Compounds

4,6-dichloro-2-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-indole
CID 3987920
4,6-dichloro-2-(2-ethoxyphenyl)-2,3-dihydro-1H-indole
CID 4030730
4,6-dichloro-2-(3-chlorophenyl)-2,3-dihydro-1H-indole
CID 4621294
4,6-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole
CID 5150094
(4R)-4-(2,5-dimethylphenyl)-1,3-oxazolidin-2-one
CID 130067434
5-chloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 164880782
4,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-indole
CID 4657954
6,8-dichloro-2-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 107676458
2-(2,2-difluorocyclopropyl)-1,4-dimethylbenzene
CID 159439039
(2R)-2-(2-chloro-4-methylphenyl)azetidine
CID 130738844
4-chloro-2-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole
CID 3988974
2-(2-chlorocyclohexyl)-1,4-dimethylbenzene
CID 63512125

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 4,6-dichloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-indole (CID 3997786) is 4,6-dichloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 4,6-dichloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 4,6-dichloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-indole is Cc1ccc(C)c(C2Cc3c(Cl)cc(Cl)cc3N2)c1.
What is the InChIKey of 4,6-dichloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-indole?
The InChIKey is OPGGZJZZATXVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N/c1-9-3-4-10(2)12(5-9)16-8-13-14(18)6-11(17)7-15(13)19-16/h3-7,16,19H,8H2,1-2H3.
What are the key properties of 4,6-dichloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-indole?
4,6-dichloro-2-(2,5-dimethylphenyl)-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 4,6-dichloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 3997786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).