4-chloro-1-[(2-chloro-4-methylphenyl)methyl]indole

C16H13Cl2N — CID 106870007

IUPAC4-chloro-1-[(2-chloro-4-methylphenyl)methyl]indole
SMILESCc1ccc(Cn2ccc3c(Cl)cccc32)c(Cl)c1
InChIInChI=1S/C16H13Cl2N/c1-11-5-6-12(15(18)9-11)10-19-8-7-13-14(17)3-2-4-16(13)19/h2-9H,10H2,1H3
InChIKeyLIIFZFHOILKLLK-UHFFFAOYSA-N
MW290.19 g/mol
LogP5.30
Rot. Bonds2

About 4-chloro-1-[(2-chloro-4-methylphenyl)methyl]indole

4-chloro-1-[(2-chloro-4-methylphenyl)methyl]indole (PubChem CID 106870007) has the molecular formula C16H13Cl2N and a molecular weight of 290.19 g/mol. Its IUPAC name is 4-chloro-1-[(2-chloro-4-methylphenyl)methyl]indole.

Molecular Properties

Compound Name4-chloro-1-[(2-chloro-4-methylphenyl)methyl]indole
PubChem CID106870007
Molecular FormulaC16H13Cl2N
Molecular Weight290.19 g/mol
Exact Mass289.04
IUPAC Name4-chloro-1-[(2-chloro-4-methylphenyl)methyl]indole
SMILESCc1ccc(Cn2ccc3c(Cl)cccc32)c(Cl)c1
InChIInChI=1S/C16H13Cl2N/c1-11-5-6-12(15(18)9-11)10-19-8-7-13-14(17)3-2-4-16(13)19/h2-9H,10H2,1H3
InChIKeyLIIFZFHOILKLLK-UHFFFAOYSA-N
XLogP5.30
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.19
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-4-[(4-chloroindol-1-yl)methyl]benzonitrile
CID 102670424
4-chloro-1-[(3,5-dimethylphenyl)methyl]indole
CID 116623712
1-[(2-chloro-4-methylphenyl)methyl]-5-methylindole
CID 106870004
4-chloro-1-[(2,4-difluorophenyl)methyl]indole
CID 116623841
4-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole
CID 102620303
6-bromo-1-[(2-chloro-4-methylphenyl)methyl]indole
CID 106869999
4-chloro-1-[(2,5-difluorophenyl)methyl]indole
CID 116623695
4-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole
CID 116623871
1-[(2-chloro-4-methylphenyl)methyl]indol-6-amine
CID 106863378
1-[(2-chloro-4-cyanophenyl)methyl]indole-4-carbonitrile
CID 107918981
methyl 2-[(4-chloroindol-1-yl)methyl]benzoate
CID 82954358
1-[(2-methoxy-5-methylphenyl)methyl]-4-methylindole
CID 116620241

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(2-chloro-4-methylphenyl)methyl]indole?
The IUPAC name of 4-chloro-1-[(2-chloro-4-methylphenyl)methyl]indole (CID 106870007) is 4-chloro-1-[(2-chloro-4-methylphenyl)methyl]indole.
What is the SMILES notation for 4-chloro-1-[(2-chloro-4-methylphenyl)methyl]indole?
The canonical SMILES for 4-chloro-1-[(2-chloro-4-methylphenyl)methyl]indole is Cc1ccc(Cn2ccc3c(Cl)cccc32)c(Cl)c1.
What is the InChIKey of 4-chloro-1-[(2-chloro-4-methylphenyl)methyl]indole?
The InChIKey is LIIFZFHOILKLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N/c1-11-5-6-12(15(18)9-11)10-19-8-7-13-14(17)3-2-4-16(13)19/h2-9H,10H2,1H3.
What are the key properties of 4-chloro-1-[(2-chloro-4-methylphenyl)methyl]indole?
4-chloro-1-[(2-chloro-4-methylphenyl)methyl]indole has a molecular weight of 290.19 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(2-chloro-4-methylphenyl)methyl]indole is sourced from PubChem (CID 106870007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).