N-(furan-2-ylmethyl)-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide

C17H13F3N2O3 — CID 2930335

IUPACN-(furan-2-ylmethyl)-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide
SMILESO=C(Cn1cc(C(=O)C(F)(F)F)c2ccccc21)NCc1ccco1
InChIInChI=1S/C17H13F3N2O3/c18-17(19,20)16(24)13-9-22(14-6-2-1-5-12(13)14)10-15(23)21-8-11-4-3-7-25-11/h1-7,9H,8,10H2,(H,21,23)
InChIKeyHQOGIPBWQYEJSP-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.30
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide

N-(furan-2-ylmethyl)-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide (PubChem CID 2930335) has the molecular formula C17H13F3N2O3 and a molecular weight of 350.30 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide
PubChem CID2930335
Molecular FormulaC17H13F3N2O3
Molecular Weight350.30 g/mol
Exact Mass350.09
IUPAC NameN-(furan-2-ylmethyl)-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide
SMILESO=C(Cn1cc(C(=O)C(F)(F)F)c2ccccc21)NCc1ccco1
InChIInChI=1S/C17H13F3N2O3/c18-17(19,20)16(24)13-9-22(14-6-2-1-5-12(13)14)10-15(23)21-8-11-4-3-7-25-11/h1-7,9H,8,10H2,(H,21,23)
InChIKeyHQOGIPBWQYEJSP-UHFFFAOYSA-N
XLogP3.30
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(furan-2-ylmethyl)-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide (CID 2930335) is N-(furan-2-ylmethyl)-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide is O=C(Cn1cc(C(=O)C(F)(F)F)c2ccccc21)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide?
The InChIKey is HQOGIPBWQYEJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O3/c18-17(19,20)16(24)13-9-22(14-6-2-1-5-12(13)14)10-15(23)21-8-11-4-3-7-25-11/h1-7,9H,8,10H2,(H,21,23).
What are the key properties of N-(furan-2-ylmethyl)-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide?
N-(furan-2-ylmethyl)-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide has a molecular weight of 350.30 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide is sourced from PubChem (CID 2930335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).