N-[4-(3,4-difluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide

C18H18F2N2O — CID 71811651

IUPACN-[4-(3,4-difluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
SMILESCCC(=O)NC1CCCc2c(-c3ccc(F)c(F)c3)cncc21
InChIInChI=1S/C18H18F2N2O/c1-2-18(23)22-17-5-3-4-12-13(9-21-10-14(12)17)11-6-7-15(19)16(20)8-11/h6-10,17H,2-5H2,1H3,(H,22,23)
InChIKeyJAZLPXLNFYULNV-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.93
Rot. Bonds3

About N-[4-(3,4-difluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide

N-[4-(3,4-difluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide (PubChem CID 71811651) has the molecular formula C18H18F2N2O and a molecular weight of 316.35 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
PubChem CID71811651
Molecular FormulaC18H18F2N2O
Molecular Weight316.35 g/mol
Exact Mass316.14
IUPAC NameN-[4-(3,4-difluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
SMILESCCC(=O)NC1CCCc2c(-c3ccc(F)c(F)c3)cncc21
InChIInChI=1S/C18H18F2N2O/c1-2-18(23)22-17-5-3-4-12-13(9-21-10-14(12)17)11-6-7-15(19)16(20)8-11/h6-10,17H,2-5H2,1H3,(H,22,23)
InChIKeyJAZLPXLNFYULNV-UHFFFAOYSA-N
XLogP3.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide (CID 71811651) is N-[4-(3,4-difluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide is CCC(=O)NC1CCCc2c(-c3ccc(F)c(F)c3)cncc21.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide?
The InChIKey is JAZLPXLNFYULNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O/c1-2-18(23)22-17-5-3-4-12-13(9-21-10-14(12)17)11-6-7-15(19)16(20)8-11/h6-10,17H,2-5H2,1H3,(H,22,23).
What are the key properties of N-[4-(3,4-difluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide?
N-[4-(3,4-difluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide has a molecular weight of 316.35 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide is sourced from PubChem (CID 71811651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).