5-chloro-2-(3,4-dichlorophenyl)-7-fluoro-2,3-dihydro-1H-indole

C14H9Cl3FN — CID 4045651

IUPAC5-chloro-2-(3,4-dichlorophenyl)-7-fluoro-2,3-dihydro-1H-indole
SMILESFc1cc(Cl)cc2c1NC(c1ccc(Cl)c(Cl)c1)C2
InChIInChI=1S/C14H9Cl3FN/c15-9-3-8-5-13(19-14(8)12(18)6-9)7-1-2-10(16)11(17)4-7/h1-4,6,13,19H,5H2
InChIKeyHBVNWLPGVFSSTF-UHFFFAOYSA-N
MW316.59 g/mol
LogP5.50
Rot. Bonds1

About 5-chloro-2-(3,4-dichlorophenyl)-7-fluoro-2,3-dihydro-1H-indole

5-chloro-2-(3,4-dichlorophenyl)-7-fluoro-2,3-dihydro-1H-indole (PubChem CID 4045651) has the molecular formula C14H9Cl3FN and a molecular weight of 316.59 g/mol. Its IUPAC name is 5-chloro-2-(3,4-dichlorophenyl)-7-fluoro-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-chloro-2-(3,4-dichlorophenyl)-7-fluoro-2,3-dihydro-1H-indole
PubChem CID4045651
Molecular FormulaC14H9Cl3FN
Molecular Weight316.59 g/mol
Exact Mass314.98
IUPAC Name5-chloro-2-(3,4-dichlorophenyl)-7-fluoro-2,3-dihydro-1H-indole
SMILESFc1cc(Cl)cc2c1NC(c1ccc(Cl)c(Cl)c1)C2
InChIInChI=1S/C14H9Cl3FN/c15-9-3-8-5-13(19-14(8)12(18)6-9)7-1-2-10(16)11(17)4-7/h1-4,6,13,19H,5H2
InChIKeyHBVNWLPGVFSSTF-UHFFFAOYSA-N
XLogP5.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.59
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3,4-dichlorophenyl)-7-fluoro-2,3-dihydro-1H-indole?
The IUPAC name of 5-chloro-2-(3,4-dichlorophenyl)-7-fluoro-2,3-dihydro-1H-indole (CID 4045651) is 5-chloro-2-(3,4-dichlorophenyl)-7-fluoro-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-chloro-2-(3,4-dichlorophenyl)-7-fluoro-2,3-dihydro-1H-indole?
The canonical SMILES for 5-chloro-2-(3,4-dichlorophenyl)-7-fluoro-2,3-dihydro-1H-indole is Fc1cc(Cl)cc2c1NC(c1ccc(Cl)c(Cl)c1)C2.
What is the InChIKey of 5-chloro-2-(3,4-dichlorophenyl)-7-fluoro-2,3-dihydro-1H-indole?
The InChIKey is HBVNWLPGVFSSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3FN/c15-9-3-8-5-13(19-14(8)12(18)6-9)7-1-2-10(16)11(17)4-7/h1-4,6,13,19H,5H2.
What are the key properties of 5-chloro-2-(3,4-dichlorophenyl)-7-fluoro-2,3-dihydro-1H-indole?
5-chloro-2-(3,4-dichlorophenyl)-7-fluoro-2,3-dihydro-1H-indole has a molecular weight of 316.59 g/mol, XLogP of 5.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3,4-dichlorophenyl)-7-fluoro-2,3-dihydro-1H-indole is sourced from PubChem (CID 4045651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).