3-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide

C17H18ClNO3 — CID 86930369

IUPAC3-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
SMILESO=C(CCOc1ccccc1Cl)NC1CCCc2occc21
InChIInChI=1S/C17H18ClNO3/c18-13-4-1-2-6-16(13)22-11-9-17(20)19-14-5-3-7-15-12(14)8-10-21-15/h1-2,4,6,8,10,14H,3,5,7,9,11H2,(H,19,20)
InChIKeyXYFIMSRPAMCOFP-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.90
Rot. Bonds5

About 3-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide

3-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide (PubChem CID 86930369) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
PubChem CID86930369
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name3-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
SMILESO=C(CCOc1ccccc1Cl)NC1CCCc2occc21
InChIInChI=1S/C17H18ClNO3/c18-13-4-1-2-6-16(13)22-11-9-17(20)19-14-5-3-7-15-12(14)8-10-21-15/h1-2,4,6,8,10,14H,3,5,7,9,11H2,(H,19,20)
InChIKeyXYFIMSRPAMCOFP-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

4-(2-bromophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide
CID 78879460
3-(3-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
CID 78865142
3-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108811035
1-(2-phenoxyethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 86927702
3-(2-methylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 2098951
2-(4-iodophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 78849389
3-(2-ethoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 8015031
4-[3-oxo-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propyl]benzoic acid
CID 75513274
2-[benzenesulfonyl(methyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 71942327
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-thiophen-3-ylpropanamide
CID 86923897
2-(4-ethylphenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 86923843
1-phenyl-3-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea
CID 941313

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide?
The IUPAC name of 3-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide (CID 86930369) is 3-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide.
What is the SMILES notation for 3-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide?
The canonical SMILES for 3-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide is O=C(CCOc1ccccc1Cl)NC1CCCc2occc21.
What is the InChIKey of 3-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide?
The InChIKey is XYFIMSRPAMCOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c18-13-4-1-2-6-16(13)22-11-9-17(20)19-14-5-3-7-15-12(14)8-10-21-15/h1-2,4,6,8,10,14H,3,5,7,9,11H2,(H,19,20).
What are the key properties of 3-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide?
3-(2-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-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide is sourced from PubChem (CID 86930369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).