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

C16H13ClF3NO — CID 3402532

IUPAC2-(5-chloro-2-methoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESCOc1ccc(Cl)cc1C1Cc2cc(C(F)(F)F)ccc2N1
InChIInChI=1S/C16H13ClF3NO/c1-22-15-5-3-11(17)8-12(15)14-7-9-6-10(16(18,19)20)2-4-13(9)21-14/h2-6,8,14,21H,7H2,1H3
InChIKeyWZGOPGAWCDSUAB-UHFFFAOYSA-N
MW327.73 g/mol
LogP5.08
Rot. Bonds2

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

2-(5-chloro-2-methoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole (PubChem CID 3402532) has the molecular formula C16H13ClF3NO and a molecular weight of 327.73 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
PubChem CID3402532
Molecular FormulaC16H13ClF3NO
Molecular Weight327.73 g/mol
Exact Mass327.06
IUPAC Name2-(5-chloro-2-methoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESCOc1ccc(Cl)cc1C1Cc2cc(C(F)(F)F)ccc2N1
InChIInChI=1S/C16H13ClF3NO/c1-22-15-5-3-11(17)8-12(15)14-7-9-6-10(16(18,19)20)2-4-13(9)21-14/h2-6,8,14,21H,7H2,1H3
InChIKeyWZGOPGAWCDSUAB-UHFFFAOYSA-N
XLogP5.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.73
LogP ≤ 55.08
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-(trifluoromethyl)-2,3-dihydro-1H-indole?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole (CID 3402532) is 2-(5-chloro-2-methoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole is COc1ccc(Cl)cc1C1Cc2cc(C(F)(F)F)ccc2N1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole?
The InChIKey is WZGOPGAWCDSUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO/c1-22-15-5-3-11(17)8-12(15)14-7-9-6-10(16(18,19)20)2-4-13(9)21-14/h2-6,8,14,21H,7H2,1H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole?
2-(5-chloro-2-methoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole has a molecular weight of 327.73 g/mol, XLogP of 5.08, 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-(trifluoromethyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 3402532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).