4-chloroaniline;5-chloro-1H-indole;ethene

C16H16Cl2N2 — CID 70508868

IUPAC4-chloroaniline;5-chloro-1H-indole;ethene
SMILESC=C.Clc1ccc2[nH]ccc2c1.Nc1ccc(Cl)cc1
InChIInChI=1S/C8H6ClN.C6H6ClN.C2H4/c9-7-1-2-8-6(5-7)3-4-10-8;7-5-1-3-6(8)4-2-5;1-2/h1-5,10H;1-4H,8H2;1-2H2
InChIKeyRDQUQWZZOIRLTC-UHFFFAOYSA-N
MW307.22 g/mol
LogP5.55
Rot. Bonds

About 4-chloroaniline;5-chloro-1H-indole;ethene

4-chloroaniline;5-chloro-1H-indole;ethene (PubChem CID 70508868) has the molecular formula C16H16Cl2N2 and a molecular weight of 307.22 g/mol. Its IUPAC name is 4-chloroaniline;5-chloro-1H-indole;ethene.

Molecular Properties

Compound Name4-chloroaniline;5-chloro-1H-indole;ethene
PubChem CID70508868
Molecular FormulaC16H16Cl2N2
Molecular Weight307.22 g/mol
Exact Mass306.07
IUPAC Name4-chloroaniline;5-chloro-1H-indole;ethene
SMILESC=C.Clc1ccc2[nH]ccc2c1.Nc1ccc(Cl)cc1
InChIInChI=1S/C8H6ClN.C6H6ClN.C2H4/c9-7-1-2-8-6(5-7)3-4-10-8;7-5-1-3-6(8)4-2-5;1-2/h1-5,10H;1-4H,8H2;1-2H2
InChIKeyRDQUQWZZOIRLTC-UHFFFAOYSA-N
XLogP5.55
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.22
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloroaniline;5-chloro-1H-indole;ethene?
The IUPAC name of 4-chloroaniline;5-chloro-1H-indole;ethene (CID 70508868) is 4-chloroaniline;5-chloro-1H-indole;ethene.
What is the SMILES notation for 4-chloroaniline;5-chloro-1H-indole;ethene?
The canonical SMILES for 4-chloroaniline;5-chloro-1H-indole;ethene is C=C.Clc1ccc2[nH]ccc2c1.Nc1ccc(Cl)cc1.
What is the InChIKey of 4-chloroaniline;5-chloro-1H-indole;ethene?
The InChIKey is RDQUQWZZOIRLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN.C6H6ClN.C2H4/c9-7-1-2-8-6(5-7)3-4-10-8;7-5-1-3-6(8)4-2-5;1-2/h1-5,10H;1-4H,8H2;1-2H2.
What are the key properties of 4-chloroaniline;5-chloro-1H-indole;ethene?
4-chloroaniline;5-chloro-1H-indole;ethene has a molecular weight of 307.22 g/mol, XLogP of 5.55, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloroaniline;5-chloro-1H-indole;ethene is sourced from PubChem (CID 70508868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).