2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-(2-hydroxyethyl)acetamide

C21H18F4N2O5 — CID 69488642

IUPAC2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-(2-hydroxyethyl)acetamide
SMILESCc1c(CC(=O)NCCO)c2cc(O)c(F)cc2n1C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H18F4N2O5/c1-11-14(9-19(30)26-6-7-28)15-8-18(29)16(22)10-17(15)27(11)20(31)12-2-4-13(5-3-12)32-21(23,24)25/h2-5,8,10,28-29H,6-7,9H2,1H3,(H,26,30)
InChIKeySDNSIEUAEZXPEY-UHFFFAOYSA-N
MW454.38 g/mol
LogP3.03
Rot. Bonds6

About 2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-(2-hydroxyethyl)acetamide

2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 69488642) has the molecular formula C21H18F4N2O5 and a molecular weight of 454.38 g/mol. Its IUPAC name is 2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-(2-hydroxyethyl)acetamide
PubChem CID69488642
Molecular FormulaC21H18F4N2O5
Molecular Weight454.38 g/mol
Exact Mass454.12
IUPAC Name2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-(2-hydroxyethyl)acetamide
SMILESCc1c(CC(=O)NCCO)c2cc(O)c(F)cc2n1C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H18F4N2O5/c1-11-14(9-19(30)26-6-7-28)15-8-18(29)16(22)10-17(15)27(11)20(31)12-2-4-13(5-3-12)32-21(23,24)25/h2-5,8,10,28-29H,6-7,9H2,1H3,(H,26,30)
InChIKeySDNSIEUAEZXPEY-UHFFFAOYSA-N
XLogP3.03
TPSA100.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.38
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-(2-hydroxyethyl)acetamide (CID 69488642) is 2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-(2-hydroxyethyl)acetamide is Cc1c(CC(=O)NCCO)c2cc(O)c(F)cc2n1C(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is SDNSIEUAEZXPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4N2O5/c1-11-14(9-19(30)26-6-7-28)15-8-18(29)16(22)10-17(15)27(11)20(31)12-2-4-13(5-3-12)32-21(23,24)25/h2-5,8,10,28-29H,6-7,9H2,1H3,(H,26,30).
What are the key properties of 2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-(2-hydroxyethyl)acetamide?
2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 454.38 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 69488642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).