N-[3-(2-fluoroethoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C18H19FN2O2 — CID 126775656

IUPACN-[3-(2-fluoroethoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(Nc1cccc(OCCF)c1)C1Cc2ccccc2CN1
InChIInChI=1S/C18H19FN2O2/c19-8-9-23-16-7-3-6-15(11-16)21-18(22)17-10-13-4-1-2-5-14(13)12-20-17/h1-7,11,17,20H,8-10,12H2,(H,21,22)
InChIKeyQGRDKLMOVQRWPL-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.69
Rot. Bonds5

About N-[3-(2-fluoroethoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

N-[3-(2-fluoroethoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 126775656) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[3-(2-fluoroethoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-fluoroethoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID126775656
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN-[3-(2-fluoroethoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(Nc1cccc(OCCF)c1)C1Cc2ccccc2CN1
InChIInChI=1S/C18H19FN2O2/c19-8-9-23-16-7-3-6-15(11-16)21-18(22)17-10-13-4-1-2-5-14(13)12-20-17/h1-7,11,17,20H,8-10,12H2,(H,21,22)
InChIKeyQGRDKLMOVQRWPL-UHFFFAOYSA-N
XLogP2.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluoroethoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-[3-(2-fluoroethoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 126775656) is N-[3-(2-fluoroethoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-[3-(2-fluoroethoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-[3-(2-fluoroethoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is O=C(Nc1cccc(OCCF)c1)C1Cc2ccccc2CN1.
What is the InChIKey of N-[3-(2-fluoroethoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is QGRDKLMOVQRWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c19-8-9-23-16-7-3-6-15(11-16)21-18(22)17-10-13-4-1-2-5-14(13)12-20-17/h1-7,11,17,20H,8-10,12H2,(H,21,22).
What are the key properties of N-[3-(2-fluoroethoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-[3-(2-fluoroethoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluoroethoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 126775656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).