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

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Related Compounds

CID 449500
CID 449500
CID 652652
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CID 958611
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CID 5340769
CID 5340769
CID 2227674
CID 2227674
CID 1932249
CID 1932249
CID 1588018
CID 1588018
CID 24829332
CID 24829332
CID 1489193
CID 1489193
CID 3240248
CID 3240248
CID 10671411
CID 10671411
CID 60155101
CID 60155101

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).