2-(2,3-dihydro-1H-indol-3-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide

C14H17F3N2O2 — CID 80572367

IUPAC2-(2,3-dihydro-1H-indol-3-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CC1CNc2ccccc21)N(CCO)CC(F)(F)F
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)9-19(5-6-20)13(21)7-10-8-18-12-4-2-1-3-11(10)12/h1-4,10,18,20H,5-9H2
InChIKeyNIGTYQPODYYHTK-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.97
Rot. Bonds5

About 2-(2,3-dihydro-1H-indol-3-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(2,3-dihydro-1H-indol-3-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 80572367) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-3-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-3-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID80572367
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name2-(2,3-dihydro-1H-indol-3-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CC1CNc2ccccc21)N(CCO)CC(F)(F)F
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)9-19(5-6-20)13(21)7-10-8-18-12-4-2-1-3-11(10)12/h1-4,10,18,20H,5-9H2
InChIKeyNIGTYQPODYYHTK-UHFFFAOYSA-N
XLogP1.97
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 80572367) is 2-(2,3-dihydro-1H-indol-3-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-3-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-3-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CC1CNc2ccccc21)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-3-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NIGTYQPODYYHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)9-19(5-6-20)13(21)7-10-8-18-12-4-2-1-3-11(10)12/h1-4,10,18,20H,5-9H2.
What are the key properties of 2-(2,3-dihydro-1H-indol-3-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2,3-dihydro-1H-indol-3-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 302.30 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-3-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 80572367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).