2-(2-aminoethoxy)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-fluorobenzamide

C18H19FN2O3 — CID 118784342

IUPAC2-(2-aminoethoxy)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-fluorobenzamide
SMILESNCCOc1ccc(F)cc1C(=O)NCc1ccc2c(c1)CCO2
InChIInChI=1S/C18H19FN2O3/c19-14-2-4-17(24-8-6-20)15(10-14)18(22)21-11-12-1-3-16-13(9-12)5-7-23-16/h1-4,9-10H,5-8,11,20H2,(H,21,22)
InChIKeyPHBQKEXDCWJXMV-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.03
Rot. Bonds6

About 2-(2-aminoethoxy)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-fluorobenzamide

2-(2-aminoethoxy)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-fluorobenzamide (PubChem CID 118784342) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-fluorobenzamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-fluorobenzamide
PubChem CID118784342
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name2-(2-aminoethoxy)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-fluorobenzamide
SMILESNCCOc1ccc(F)cc1C(=O)NCc1ccc2c(c1)CCO2
InChIInChI=1S/C18H19FN2O3/c19-14-2-4-17(24-8-6-20)15(10-14)18(22)21-11-12-1-3-16-13(9-12)5-7-23-16/h1-4,9-10H,5-8,11,20H2,(H,21,22)
InChIKeyPHBQKEXDCWJXMV-UHFFFAOYSA-N
XLogP2.03
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxybenzamide
CID 110787049
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-difluorobenzamide
CID 110787075
N-[(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 47160691
N-(1,3-benzodioxol-5-ylmethyl)-2,4-difluorobenzamide
CID 4280921
2-(2-aminoethoxy)-5-fluoro-N-(oxan-4-yl)benzamide;hydrochloride
CID 166174931
3-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)phenoxy]propanamide
CID 119934663
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-ethoxy-4-fluoroaniline
CID 43804400
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(4-fluorophenoxy)acetamide
CID 110784257
2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2-oxoacetic acid
CID 115141351
2-(2-aminoethoxy)-N-cyclopropyl-5-fluorobenzamide;hydrochloride
CID 166174911
5-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)furan-2-carboxamide
CID 110795017
4-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110787047

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-fluorobenzamide?
The IUPAC name of 2-(2-aminoethoxy)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-fluorobenzamide (CID 118784342) is 2-(2-aminoethoxy)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-fluorobenzamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-fluorobenzamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-fluorobenzamide is NCCOc1ccc(F)cc1C(=O)NCc1ccc2c(c1)CCO2.
What is the InChIKey of 2-(2-aminoethoxy)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-fluorobenzamide?
The InChIKey is PHBQKEXDCWJXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c19-14-2-4-17(24-8-6-20)15(10-14)18(22)21-11-12-1-3-16-13(9-12)5-7-23-16/h1-4,9-10H,5-8,11,20H2,(H,21,22).
What are the key properties of 2-(2-aminoethoxy)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-fluorobenzamide?
2-(2-aminoethoxy)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-fluorobenzamide has a molecular weight of 330.36 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-fluorobenzamide is sourced from PubChem (CID 118784342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).