2-(2-bromo-4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide

C17H17BrFNO3 — CID 78872855

IUPAC2-(2-bromo-4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
SMILESCC(Oc1ccc(F)cc1Br)C(=O)NC1CCCc2occc21
InChIInChI=1S/C17H17BrFNO3/c1-10(23-16-6-5-11(19)9-13(16)18)17(21)20-14-3-2-4-15-12(14)7-8-22-15/h5-10,14H,2-4H2,1H3,(H,20,21)
InChIKeyOGAJBUHGNKRAAC-UHFFFAOYSA-N
MW382.23 g/mol
LogP4.14
Rot. Bonds4

About 2-(2-bromo-4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide

2-(2-bromo-4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide (PubChem CID 78872855) has the molecular formula C17H17BrFNO3 and a molecular weight of 382.23 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
PubChem CID78872855
Molecular FormulaC17H17BrFNO3
Molecular Weight382.23 g/mol
Exact Mass381.04
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
SMILESCC(Oc1ccc(F)cc1Br)C(=O)NC1CCCc2occc21
InChIInChI=1S/C17H17BrFNO3/c1-10(23-16-6-5-11(19)9-13(16)18)17(21)20-14-3-2-4-15-12(14)7-8-22-15/h5-10,14H,2-4H2,1H3,(H,20,21)
InChIKeyOGAJBUHGNKRAAC-UHFFFAOYSA-N
XLogP4.14
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.23
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 43083012
(2S)-2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
CID 61274318
1-(2-bromo-4-fluoroanilino)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78891451
N-(2-bromo-4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 113315137
2-(2-bromo-4-fluorophenoxy)-N-(2-methylcyclohexyl)propanamide
CID 42990445
cis-(1S,3R)-3-[2-(2-bromo-4-fluorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120675875
(2R)-2-(2-bromo-4-fluorophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide
CID 8728717
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride
CID 119457092
2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide
CID 61273758
3-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 86923832
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43771911
6-propan-2-yloxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide
CID 86986073

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide (CID 78872855) is 2-(2-bromo-4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide is CC(Oc1ccc(F)cc1Br)C(=O)NC1CCCc2occc21.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide?
The InChIKey is OGAJBUHGNKRAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO3/c1-10(23-16-6-5-11(19)9-13(16)18)17(21)20-14-3-2-4-15-12(14)7-8-22-15/h5-10,14H,2-4H2,1H3,(H,20,21).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide?
2-(2-bromo-4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide has a molecular weight of 382.23 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide is sourced from PubChem (CID 78872855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).