5-chloro-1-[(4-chlorophenyl)methyl]-3-methylindole;ethane

C18H19Cl2N — CID 142538861

IUPAC5-chloro-1-[(4-chlorophenyl)methyl]-3-methylindole;ethane
SMILESCC.Cc1cn(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C16H13Cl2N.C2H6/c1-11-9-19(10-12-2-4-13(17)5-3-12)16-7-6-14(18)8-15(11)16;1-2/h2-9H,10H2,1H3;1-2H3
InChIKeyNZFXPCUHGLIQLA-UHFFFAOYSA-N
MW320.26 g/mol
LogP6.33
Rot. Bonds2

About 5-chloro-1-[(4-chlorophenyl)methyl]-3-methylindole;ethane

5-chloro-1-[(4-chlorophenyl)methyl]-3-methylindole;ethane (PubChem CID 142538861) has the molecular formula C18H19Cl2N and a molecular weight of 320.26 g/mol. Its IUPAC name is 5-chloro-1-[(4-chlorophenyl)methyl]-3-methylindole;ethane.

Molecular Properties

Compound Name5-chloro-1-[(4-chlorophenyl)methyl]-3-methylindole;ethane
PubChem CID142538861
Molecular FormulaC18H19Cl2N
Molecular Weight320.26 g/mol
Exact Mass319.09
IUPAC Name5-chloro-1-[(4-chlorophenyl)methyl]-3-methylindole;ethane
SMILESCC.Cc1cn(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C16H13Cl2N.C2H6/c1-11-9-19(10-12-2-4-13(17)5-3-12)16-7-6-14(18)8-15(11)16;1-2/h2-9H,10H2,1H3;1-2H3
InChIKeyNZFXPCUHGLIQLA-UHFFFAOYSA-N
XLogP6.33
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.26
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(5-chloro-3-methylindol-1-yl)methyl]benzamide;ethane
CID 142538967
5-chloro-1-ethyl-3-methylindole
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CID 142538843
1-benzyl-3-methylindole;ethane
CID 145343697
[4-[(5-carbamoyl-3-methylindol-1-yl)methyl]phenyl]boronic acid
CID 155710977
5-bromo-1-[(4-chlorophenyl)methyl]-3-iodoindole
CID 102364490
2-chloro-5-[(3-methylindol-1-yl)methyl]aniline
CID 43316655
5-chloro-1-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]indole-3-carboxamide
CID 10620409
1-benzyl-5-chloroindole-3-carboxylic acid
CID 10565097
2-(1-ethyl-3-methylindol-5-yl)ethanamine
CID 117204739
1-[[4-(2-bromoethoxy)phenyl]methyl]-3-methyl-5-phenylmethoxyindole
CID 142647919
5-chloro-1-[(3,4-dimethylphenyl)methyl]indole
CID 116623337

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(4-chlorophenyl)methyl]-3-methylindole;ethane?
The IUPAC name of 5-chloro-1-[(4-chlorophenyl)methyl]-3-methylindole;ethane (CID 142538861) is 5-chloro-1-[(4-chlorophenyl)methyl]-3-methylindole;ethane.
What is the SMILES notation for 5-chloro-1-[(4-chlorophenyl)methyl]-3-methylindole;ethane?
The canonical SMILES for 5-chloro-1-[(4-chlorophenyl)methyl]-3-methylindole;ethane is CC.Cc1cn(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-1-[(4-chlorophenyl)methyl]-3-methylindole;ethane?
The InChIKey is NZFXPCUHGLIQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N.C2H6/c1-11-9-19(10-12-2-4-13(17)5-3-12)16-7-6-14(18)8-15(11)16;1-2/h2-9H,10H2,1H3;1-2H3.
What are the key properties of 5-chloro-1-[(4-chlorophenyl)methyl]-3-methylindole;ethane?
5-chloro-1-[(4-chlorophenyl)methyl]-3-methylindole;ethane has a molecular weight of 320.26 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(4-chlorophenyl)methyl]-3-methylindole;ethane is sourced from PubChem (CID 142538861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).