N-[2-[4-(cyanomethyl)phenoxy]ethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide

C19H17FN2O3 — CID 71999419

IUPACN-[2-[4-(cyanomethyl)phenoxy]ethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESN#CCc1ccc(OCCNC(=O)C2Cc3cccc(F)c3O2)cc1
InChIInChI=1S/C19H17FN2O3/c20-16-3-1-2-14-12-17(25-18(14)16)19(23)22-10-11-24-15-6-4-13(5-7-15)8-9-21/h1-7,17H,8,10-12H2,(H,22,23)
InChIKeyJHADYXFAUBHRPT-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.39
Rot. Bonds6

About N-[2-[4-(cyanomethyl)phenoxy]ethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide

N-[2-[4-(cyanomethyl)phenoxy]ethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 71999419) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is N-[2-[4-(cyanomethyl)phenoxy]ethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(cyanomethyl)phenoxy]ethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID71999419
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC NameN-[2-[4-(cyanomethyl)phenoxy]ethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESN#CCc1ccc(OCCNC(=O)C2Cc3cccc(F)c3O2)cc1
InChIInChI=1S/C19H17FN2O3/c20-16-3-1-2-14-12-17(25-18(14)16)19(23)22-10-11-24-15-6-4-13(5-7-15)8-9-21/h1-7,17H,8,10-12H2,(H,22,23)
InChIKeyJHADYXFAUBHRPT-UHFFFAOYSA-N
XLogP2.39
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyanomethyl)phenoxy]ethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-[4-(cyanomethyl)phenoxy]ethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide (CID 71999419) is N-[2-[4-(cyanomethyl)phenoxy]ethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-[4-(cyanomethyl)phenoxy]ethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-[4-(cyanomethyl)phenoxy]ethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide is N#CCc1ccc(OCCNC(=O)C2Cc3cccc(F)c3O2)cc1.
What is the InChIKey of N-[2-[4-(cyanomethyl)phenoxy]ethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is JHADYXFAUBHRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c20-16-3-1-2-14-12-17(25-18(14)16)19(23)22-10-11-24-15-6-4-13(5-7-15)8-9-21/h1-7,17H,8,10-12H2,(H,22,23).
What are the key properties of N-[2-[4-(cyanomethyl)phenoxy]ethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[2-[4-(cyanomethyl)phenoxy]ethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyanomethyl)phenoxy]ethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 71999419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).