3-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide

C16H14ClNO2 — CID 110787066

IUPAC3-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
SMILESO=C(NCc1ccc2c(c1)CCO2)c1cccc(Cl)c1
InChIInChI=1S/C16H14ClNO2/c17-14-3-1-2-13(9-14)16(19)18-10-11-4-5-15-12(8-11)6-7-20-15/h1-5,8-9H,6-7,10H2,(H,18,19)
InChIKeyOWFWASPSAYFZQH-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.20
Rot. Bonds3

About 3-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide

3-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide (PubChem CID 110787066) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 3-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
PubChem CID110787066
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name3-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
SMILESO=C(NCc1ccc2c(c1)CCO2)c1cccc(Cl)c1
InChIInChI=1S/C16H14ClNO2/c17-14-3-1-2-13(9-14)16(19)18-10-11-4-5-15-12(8-11)6-7-20-15/h1-5,8-9H,6-7,10H2,(H,18,19)
InChIKeyOWFWASPSAYFZQH-UHFFFAOYSA-N
XLogP3.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110795014
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-difluorobenzamide
CID 110787075
3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]benzamide
CID 90580722
4-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110787047
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyridine-4-carboxamide;hydrochloride
CID 110787070
3-chloro-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]benzamide
CID 78867495
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(dimethylamino)benzamide
CID 2738883
N-[(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 47160691
N-[[4-(phenylmethoxymethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55694577
2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2-oxoacetic acid
CID 115141351
5-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)furan-2-carboxamide
CID 110795017
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxopropanamide
CID 115175685

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide?
The IUPAC name of 3-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide (CID 110787066) is 3-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide is O=C(NCc1ccc2c(c1)CCO2)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide?
The InChIKey is OWFWASPSAYFZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c17-14-3-1-2-13(9-14)16(19)18-10-11-4-5-15-12(8-11)6-7-20-15/h1-5,8-9H,6-7,10H2,(H,18,19).
What are the key properties of 3-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide?
3-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide has a molecular weight of 287.75 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide is sourced from PubChem (CID 110787066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).