N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-fluorobenzamide

C21H19FN2O2 — CID 18577474

IUPACN-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-fluorobenzamide
SMILESO=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1
InChIInChI=1S/C21H19FN2O2/c22-17-7-3-6-16(13-17)21(25)23-14-19(20-9-4-12-26-20)24-11-10-15-5-1-2-8-18(15)24/h1-9,12-13,19H,10-11,14H2,(H,23,25)
InChIKeyBBVMWNXYLUKSDX-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.95
Rot. Bonds5

About N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-fluorobenzamide

N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-fluorobenzamide (PubChem CID 18577474) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-fluorobenzamide
PubChem CID18577474
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-fluorobenzamide
SMILESO=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1
InChIInChI=1S/C21H19FN2O2/c22-17-7-3-6-16(13-17)21(25)23-14-19(20-9-4-12-26-20)24-11-10-15-5-1-2-8-18(15)24/h1-9,12-13,19H,10-11,14H2,(H,23,25)
InChIKeyBBVMWNXYLUKSDX-UHFFFAOYSA-N
XLogP3.95
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-fluorobenzamide (CID 18577474) is N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-fluorobenzamide is O=C(NCC(c1ccco1)N1CCc2ccccc21)c1cccc(F)c1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-fluorobenzamide?
The InChIKey is BBVMWNXYLUKSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2/c22-17-7-3-6-16(13-17)21(25)23-14-19(20-9-4-12-26-20)24-11-10-15-5-1-2-8-18(15)24/h1-9,12-13,19H,10-11,14H2,(H,23,25).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-fluorobenzamide?
N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-fluorobenzamide has a molecular weight of 350.39 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-fluorobenzamide is sourced from PubChem (CID 18577474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).