5-chloro-2-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide

C17H14ClNO4 — CID 17497933

IUPAC5-chloro-2-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide
SMILESNC(=O)c1cc(Cl)ccc1OCC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H14ClNO4/c18-12-2-4-16(13(8-12)17(19)21)23-9-14(20)10-1-3-15-11(7-10)5-6-22-15/h1-4,7-8H,5-6,9H2,(H2,19,21)
InChIKeyNTYALWLUVMWEJJ-UHFFFAOYSA-N
MW331.76 g/mol
LogP2.64
Rot. Bonds5

About 5-chloro-2-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide

5-chloro-2-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide (PubChem CID 17497933) has the molecular formula C17H14ClNO4 and a molecular weight of 331.76 g/mol. Its IUPAC name is 5-chloro-2-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name5-chloro-2-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide
PubChem CID17497933
Molecular FormulaC17H14ClNO4
Molecular Weight331.76 g/mol
Exact Mass331.06
IUPAC Name5-chloro-2-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide
SMILESNC(=O)c1cc(Cl)ccc1OCC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H14ClNO4/c18-12-2-4-16(13(8-12)17(19)21)23-9-14(20)10-1-3-15-11(7-10)5-6-22-15/h1-4,7-8H,5-6,9H2,(H2,19,21)
InChIKeyNTYALWLUVMWEJJ-UHFFFAOYSA-N
XLogP2.64
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide
CID 26961842
[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 35533335
4-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]-3-methoxybenzonitrile
CID 17495476
[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 35477519
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-nitrophenoxy)ethanone
CID 33494891
2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 61027612
[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 35460918
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanoate
CID 70925454
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 10352535
3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanal
CID 116821577
2,3-dihydro-1-benzofuran-5-yl-(2-ethoxy-5-methylphenyl)methanone
CID 62301805
N-cyclopentyl-4-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide
CID 60608783

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide?
The IUPAC name of 5-chloro-2-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide (CID 17497933) is 5-chloro-2-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide.
What is the SMILES notation for 5-chloro-2-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide?
The canonical SMILES for 5-chloro-2-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide is NC(=O)c1cc(Cl)ccc1OCC(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of 5-chloro-2-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide?
The InChIKey is NTYALWLUVMWEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO4/c18-12-2-4-16(13(8-12)17(19)21)23-9-14(20)10-1-3-15-11(7-10)5-6-22-15/h1-4,7-8H,5-6,9H2,(H2,19,21).
What are the key properties of 5-chloro-2-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide?
5-chloro-2-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide has a molecular weight of 331.76 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide is sourced from PubChem (CID 17497933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).