2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[2-hydroxy-1-(2-methoxyphenyl)ethyl]acetamide

C19H20ClNO4 — CID 139002960

IUPAC2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[2-hydroxy-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1C(CO)NC(=O)Cc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C19H20ClNO4/c1-24-17-5-3-2-4-15(17)16(11-22)21-18(23)10-13-9-14(20)8-12-6-7-25-19(12)13/h2-5,8-9,16,22H,6-7,10-11H2,1H3,(H,21,23)
InChIKeyLGAPUGJRCXCAGZ-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.68
Rot. Bonds6

About 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[2-hydroxy-1-(2-methoxyphenyl)ethyl]acetamide

2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[2-hydroxy-1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 139002960) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[2-hydroxy-1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[2-hydroxy-1-(2-methoxyphenyl)ethyl]acetamide
PubChem CID139002960
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[2-hydroxy-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1C(CO)NC(=O)Cc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C19H20ClNO4/c1-24-17-5-3-2-4-15(17)16(11-22)21-18(23)10-13-9-14(20)8-12-6-7-25-19(12)13/h2-5,8-9,16,22H,6-7,10-11H2,1H3,(H,21,23)
InChIKeyLGAPUGJRCXCAGZ-UHFFFAOYSA-N
XLogP2.68
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[2-hydroxy-1-(2-methoxyphenyl)ethyl]acetamide with MolForge

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Related Compounds

5-chloro-7-[chloro-(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543711
(2S)-2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]-3-methylbutan-1-ol
CID 114982869
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-(propan-2-ylamino)propan-2-one
CID 116554886
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3-methoxyphenyl)ethanone
CID 104544556
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-chloro-3-methylphenyl)ethanamine
CID 105031480
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-(ethylamino)propan-2-one
CID 116562535
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)but-3-en-2-one
CID 103453608
2-(5-chloro-2-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)acetamide
CID 65312632
2-(5-chloro-2-methoxyphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 113351921
1-(3-bromo-2-chlorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 115830807
2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852664
3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]-3-methylbutan-1-ol
CID 113381738

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[2-hydroxy-1-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[2-hydroxy-1-(2-methoxyphenyl)ethyl]acetamide (CID 139002960) is 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[2-hydroxy-1-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[2-hydroxy-1-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[2-hydroxy-1-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1C(CO)NC(=O)Cc1cc(Cl)cc2c1OCC2.
What is the InChIKey of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[2-hydroxy-1-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is LGAPUGJRCXCAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-24-17-5-3-2-4-15(17)16(11-22)21-18(23)10-13-9-14(20)8-12-6-7-25-19(12)13/h2-5,8-9,16,22H,6-7,10-11H2,1H3,(H,21,23).
What are the key properties of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[2-hydroxy-1-(2-methoxyphenyl)ethyl]acetamide?
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[2-hydroxy-1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 361.83 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[2-hydroxy-1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 139002960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).