2-(5-chloro-2-methoxyphenyl)-5-fluoro-2,3-dihydro-1H-indole

C15H13ClFNO — CID 3934543

IUPAC2-(5-chloro-2-methoxyphenyl)-5-fluoro-2,3-dihydro-1H-indole
SMILESCOc1ccc(Cl)cc1C1Cc2cc(F)ccc2N1
InChIInChI=1S/C15H13ClFNO/c1-19-15-5-2-10(16)8-12(15)14-7-9-6-11(17)3-4-13(9)18-14/h2-6,8,14,18H,7H2,1H3
InChIKeyFCIFYCQOJOXAOP-UHFFFAOYSA-N
MW277.73 g/mol
LogP4.20
Rot. Bonds2

About 2-(5-chloro-2-methoxyphenyl)-5-fluoro-2,3-dihydro-1H-indole

2-(5-chloro-2-methoxyphenyl)-5-fluoro-2,3-dihydro-1H-indole (PubChem CID 3934543) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-5-fluoro-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-5-fluoro-2,3-dihydro-1H-indole
PubChem CID3934543
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC Name2-(5-chloro-2-methoxyphenyl)-5-fluoro-2,3-dihydro-1H-indole
SMILESCOc1ccc(Cl)cc1C1Cc2cc(F)ccc2N1
InChIInChI=1S/C15H13ClFNO/c1-19-15-5-2-10(16)8-12(15)14-7-9-6-11(17)3-4-13(9)18-14/h2-6,8,14,18H,7H2,1H3
InChIKeyFCIFYCQOJOXAOP-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-5-fluoro-2,3-dihydro-1H-indole?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-5-fluoro-2,3-dihydro-1H-indole (CID 3934543) is 2-(5-chloro-2-methoxyphenyl)-5-fluoro-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-5-fluoro-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-5-fluoro-2,3-dihydro-1H-indole is COc1ccc(Cl)cc1C1Cc2cc(F)ccc2N1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-5-fluoro-2,3-dihydro-1H-indole?
The InChIKey is FCIFYCQOJOXAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c1-19-15-5-2-10(16)8-12(15)14-7-9-6-11(17)3-4-13(9)18-14/h2-6,8,14,18H,7H2,1H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-5-fluoro-2,3-dihydro-1H-indole?
2-(5-chloro-2-methoxyphenyl)-5-fluoro-2,3-dihydro-1H-indole has a molecular weight of 277.73 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-5-fluoro-2,3-dihydro-1H-indole is sourced from PubChem (CID 3934543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).