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

C17H16ClNO3 — CID 90580722

IUPAC3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]benzamide
SMILESO=C(NCC(O)c1ccc2c(c1)CCO2)c1cccc(Cl)c1
InChIInChI=1S/C17H16ClNO3/c18-14-3-1-2-13(9-14)17(21)19-10-15(20)11-4-5-16-12(8-11)6-7-22-16/h1-5,8-9,15,20H,6-7,10H2,(H,19,21)
InChIKeyMADGRMLGQWAHKO-UHFFFAOYSA-N
MW317.77 g/mol
LogP2.74
Rot. Bonds4

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

3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]benzamide (PubChem CID 90580722) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is 3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]benzamide
PubChem CID90580722
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]benzamide
SMILESO=C(NCC(O)c1ccc2c(c1)CCO2)c1cccc(Cl)c1
InChIInChI=1S/C17H16ClNO3/c18-14-3-1-2-13(9-14)17(21)19-10-15(20)11-4-5-16-12(8-11)6-7-22-16/h1-5,8-9,15,20H,6-7,10H2,(H,19,21)
InChIKeyMADGRMLGQWAHKO-UHFFFAOYSA-N
XLogP2.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-methylbenzamide
CID 90580695
3-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110787066
2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 62505676
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 42947632
5-chloro-N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 97042443
N'-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]oxamide
CID 71803499
3-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-hydroxypropanoic acid
CID 66166416
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]benzamide
CID 119099537
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-(4-phenylphenyl)acetamide
CID 90580796
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-methylbutanamide
CID 90580682
ethyl N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]carbamate
CID 71803417
1-benzhydryl-3-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]urea
CID 97105782

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]benzamide (CID 90580722) is 3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]benzamide is O=C(NCC(O)c1ccc2c(c1)CCO2)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]benzamide?
The InChIKey is MADGRMLGQWAHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c18-14-3-1-2-13(9-14)17(21)19-10-15(20)11-4-5-16-12(8-11)6-7-22-16/h1-5,8-9,15,20H,6-7,10H2,(H,19,21).
What are the key properties of 3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]benzamide?
3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]benzamide has a molecular weight of 317.77 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]benzamide is sourced from PubChem (CID 90580722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).