7-chloro-6-[(4,7-dichloro-1-methylindol-2-yl)methyl]-4-fluoro-1,2-dimethylindole

C20H16Cl3FN2 — CID 167100676

IUPAC7-chloro-6-[(4,7-dichloro-1-methylindol-2-yl)methyl]-4-fluoro-1,2-dimethylindole
SMILESCc1cc2c(F)cc(Cc3cc4c(Cl)ccc(Cl)c4n3C)c(Cl)c2n1C
InChIInChI=1S/C20H16Cl3FN2/c1-10-6-14-17(24)8-11(18(23)20(14)25(10)2)7-12-9-13-15(21)4-5-16(22)19(13)26(12)3/h4-6,8-9H,7H2,1-3H3
InChIKeyQEKSWWJDTNWAAP-UHFFFAOYSA-N
MW409.72 g/mol
LogP6.67
Rot. Bonds2

About 7-chloro-6-[(4,7-dichloro-1-methylindol-2-yl)methyl]-4-fluoro-1,2-dimethylindole

7-chloro-6-[(4,7-dichloro-1-methylindol-2-yl)methyl]-4-fluoro-1,2-dimethylindole (PubChem CID 167100676) has the molecular formula C20H16Cl3FN2 and a molecular weight of 409.72 g/mol. Its IUPAC name is 7-chloro-6-[(4,7-dichloro-1-methylindol-2-yl)methyl]-4-fluoro-1,2-dimethylindole.

Molecular Properties

Compound Name7-chloro-6-[(4,7-dichloro-1-methylindol-2-yl)methyl]-4-fluoro-1,2-dimethylindole
PubChem CID167100676
Molecular FormulaC20H16Cl3FN2
Molecular Weight409.72 g/mol
Exact Mass408.04
IUPAC Name7-chloro-6-[(4,7-dichloro-1-methylindol-2-yl)methyl]-4-fluoro-1,2-dimethylindole
SMILESCc1cc2c(F)cc(Cc3cc4c(Cl)ccc(Cl)c4n3C)c(Cl)c2n1C
InChIInChI=1S/C20H16Cl3FN2/c1-10-6-14-17(24)8-11(18(23)20(14)25(10)2)7-12-9-13-15(21)4-5-16(22)19(13)26(12)3/h4-6,8-9H,7H2,1-3H3
InChIKeyQEKSWWJDTNWAAP-UHFFFAOYSA-N
XLogP6.67
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.72
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-[(4,7-dichloro-1-methylindol-2-yl)methyl]-4-fluoro-1,2-dimethylindole?
The IUPAC name of 7-chloro-6-[(4,7-dichloro-1-methylindol-2-yl)methyl]-4-fluoro-1,2-dimethylindole (CID 167100676) is 7-chloro-6-[(4,7-dichloro-1-methylindol-2-yl)methyl]-4-fluoro-1,2-dimethylindole.
What is the SMILES notation for 7-chloro-6-[(4,7-dichloro-1-methylindol-2-yl)methyl]-4-fluoro-1,2-dimethylindole?
The canonical SMILES for 7-chloro-6-[(4,7-dichloro-1-methylindol-2-yl)methyl]-4-fluoro-1,2-dimethylindole is Cc1cc2c(F)cc(Cc3cc4c(Cl)ccc(Cl)c4n3C)c(Cl)c2n1C.
What is the InChIKey of 7-chloro-6-[(4,7-dichloro-1-methylindol-2-yl)methyl]-4-fluoro-1,2-dimethylindole?
The InChIKey is QEKSWWJDTNWAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl3FN2/c1-10-6-14-17(24)8-11(18(23)20(14)25(10)2)7-12-9-13-15(21)4-5-16(22)19(13)26(12)3/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 7-chloro-6-[(4,7-dichloro-1-methylindol-2-yl)methyl]-4-fluoro-1,2-dimethylindole?
7-chloro-6-[(4,7-dichloro-1-methylindol-2-yl)methyl]-4-fluoro-1,2-dimethylindole has a molecular weight of 409.72 g/mol, XLogP of 6.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-[(4,7-dichloro-1-methylindol-2-yl)methyl]-4-fluoro-1,2-dimethylindole is sourced from PubChem (CID 167100676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).