3-(3-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide

C17H18ClNO3 — CID 78865142

IUPAC3-(3-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
SMILESO=C(CCOc1cccc(Cl)c1)NC1CCCc2occc21
InChIInChI=1S/C17H18ClNO3/c18-12-3-1-4-13(11-12)21-10-8-17(20)19-15-5-2-6-16-14(15)7-9-22-16/h1,3-4,7,9,11,15H,2,5-6,8,10H2,(H,19,20)
InChIKeyDZEKNXGVQKWLJU-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.90
Rot. Bonds5

About 3-(3-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide

3-(3-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide (PubChem CID 78865142) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
PubChem CID78865142
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name3-(3-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
SMILESO=C(CCOc1cccc(Cl)c1)NC1CCCc2occc21
InChIInChI=1S/C17H18ClNO3/c18-12-3-1-4-13(11-12)21-10-8-17(20)19-15-5-2-6-16-14(15)7-9-22-16/h1,3-4,7,9,11,15H,2,5-6,8,10H2,(H,19,20)
InChIKeyDZEKNXGVQKWLJU-UHFFFAOYSA-N
XLogP3.90
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
CID 86930369
2-(3-acetylphenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 86923871
1-(3-chlorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78891837
2-[3-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 64814516
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide
CID 86926255
4-(2-bromophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide
CID 78879460
1-(3-chlorophenyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)cyclobutane-1-carboxamide
CID 86924024
2-(4-iodophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 78849389
5-chloro-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 60734211
2,4-dichloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 3491146
2-(4-ethylphenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 86923843
4-[3-oxo-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propyl]benzoic acid
CID 75513274

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide?
The IUPAC name of 3-(3-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide (CID 78865142) is 3-(3-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide.
What is the SMILES notation for 3-(3-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide?
The canonical SMILES for 3-(3-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide is O=C(CCOc1cccc(Cl)c1)NC1CCCc2occc21.
What is the InChIKey of 3-(3-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide?
The InChIKey is DZEKNXGVQKWLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c18-12-3-1-4-13(11-12)21-10-8-17(20)19-15-5-2-6-16-14(15)7-9-22-16/h1,3-4,7,9,11,15H,2,5-6,8,10H2,(H,19,20).
What are the key properties of 3-(3-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide?
3-(3-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide has a molecular weight of 319.79 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide is sourced from PubChem (CID 78865142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).