N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(methoxymethyl)furan-2-carboxamide

C16H17FN2O3 — CID 120882966

IUPACN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc3c(c2F)CCNC3)o1
InChIInChI=1S/C16H17FN2O3/c1-21-9-11-3-5-14(22-11)16(20)19-13-4-2-10-8-18-7-6-12(10)15(13)17/h2-5,18H,6-9H2,1H3,(H,19,20)
InChIKeyGWNXAYSMMCJHLJ-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.46
Rot. Bonds4

About N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(methoxymethyl)furan-2-carboxamide

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(methoxymethyl)furan-2-carboxamide (PubChem CID 120882966) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(methoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(methoxymethyl)furan-2-carboxamide
PubChem CID120882966
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc3c(c2F)CCNC3)o1
InChIInChI=1S/C16H17FN2O3/c1-21-9-11-3-5-14(22-11)16(20)19-13-4-2-10-8-18-7-6-12(10)15(13)17/h2-5,18H,6-9H2,1H3,(H,19,20)
InChIKeyGWNXAYSMMCJHLJ-UHFFFAOYSA-N
XLogP2.46
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(methoxymethyl)furan-2-carboxamide?
The IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(methoxymethyl)furan-2-carboxamide (CID 120882966) is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(methoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(methoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(methoxymethyl)furan-2-carboxamide is COCc1ccc(C(=O)Nc2ccc3c(c2F)CCNC3)o1.
What is the InChIKey of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(methoxymethyl)furan-2-carboxamide?
The InChIKey is GWNXAYSMMCJHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-21-9-11-3-5-14(22-11)16(20)19-13-4-2-10-8-18-7-6-12(10)15(13)17/h2-5,18H,6-9H2,1H3,(H,19,20).
What are the key properties of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(methoxymethyl)furan-2-carboxamide?
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(methoxymethyl)furan-2-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(methoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 120882966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).