2-(4-chloroindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C12H10ClF3N2O — CID 116623796

IUPAC2-(4-chloroindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1ccc2c(Cl)cccc21)NCC(F)(F)F
InChIInChI=1S/C12H10ClF3N2O/c13-9-2-1-3-10-8(9)4-5-18(10)6-11(19)17-7-12(14,15)16/h1-5H,6-7H2,(H,17,19)
InChIKeyNAUJSTIRBYUSJF-UHFFFAOYSA-N
MW290.67 g/mol
LogP2.97
Rot. Bonds3

About 2-(4-chloroindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-chloroindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 116623796) has the molecular formula C12H10ClF3N2O and a molecular weight of 290.67 g/mol. Its IUPAC name is 2-(4-chloroindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-chloroindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID116623796
Molecular FormulaC12H10ClF3N2O
Molecular Weight290.67 g/mol
Exact Mass290.04
IUPAC Name2-(4-chloroindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1ccc2c(Cl)cccc21)NCC(F)(F)F
InChIInChI=1S/C12H10ClF3N2O/c13-9-2-1-3-10-8(9)4-5-18(10)6-11(19)17-7-12(14,15)16/h1-5H,6-7H2,(H,17,19)
InChIKeyNAUJSTIRBYUSJF-UHFFFAOYSA-N
XLogP2.97
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.67
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-chloroindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 116623796) is 2-(4-chloroindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-chloroindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-chloroindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1ccc2c(Cl)cccc21)NCC(F)(F)F.
What is the InChIKey of 2-(4-chloroindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NAUJSTIRBYUSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2O/c13-9-2-1-3-10-8(9)4-5-18(10)6-11(19)17-7-12(14,15)16/h1-5H,6-7H2,(H,17,19).
What are the key properties of 2-(4-chloroindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-chloroindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 290.67 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 116623796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).