4-chloro-N-[1-(2,3-dihydro-1-benzofuran-2-yl)ethyl]benzamide

C17H16ClNO2 — CID 110179030

IUPAC4-chloro-N-[1-(2,3-dihydro-1-benzofuran-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C1Cc2ccccc2O1
InChIInChI=1S/C17H16ClNO2/c1-11(16-10-13-4-2-3-5-15(13)21-16)19-17(20)12-6-8-14(18)9-7-12/h2-9,11,16H,10H2,1H3,(H,19,20)
InChIKeyXSIMPCGLZOXJQJ-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.46
Rot. Bonds3

About 4-chloro-N-[1-(2,3-dihydro-1-benzofuran-2-yl)ethyl]benzamide

4-chloro-N-[1-(2,3-dihydro-1-benzofuran-2-yl)ethyl]benzamide (PubChem CID 110179030) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 4-chloro-N-[1-(2,3-dihydro-1-benzofuran-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(2,3-dihydro-1-benzofuran-2-yl)ethyl]benzamide
PubChem CID110179030
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name4-chloro-N-[1-(2,3-dihydro-1-benzofuran-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C1Cc2ccccc2O1
InChIInChI=1S/C17H16ClNO2/c1-11(16-10-13-4-2-3-5-15(13)21-16)19-17(20)12-6-8-14(18)9-7-12/h2-9,11,16H,10H2,1H3,(H,19,20)
InChIKeyXSIMPCGLZOXJQJ-UHFFFAOYSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-[1-(2,3-dihydro-1-benzofuran-2-yl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(3,4-dihydro-2H-chromen-3-yl)benzamide
CID 110751510
4-chloro-N-propan-2-ylbenzamide
CID 24045
N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-4-(2-methylpropoxy)benzamide
CID 1120176
N-[(1R)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-4-(2-methylpropoxy)benzamide
CID 1120179
N-[(1R)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-4-propoxybenzamide
CID 7105997
N-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-4-prop-2-enoxybenzamide
CID 2852148
4-chloro-N-(3-methylbutan-2-yl)benzamide
CID 4263927
4-chloro-N-[3-methyl-1-oxo-1-[1-(oxolan-2-yl)ethylamino]butan-2-yl]benzamide
CID 55609498
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chlorobenzamide
CID 98202188
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chlorobenzamide
CID 6979705
4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050596
4-(chloromethyl)-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43533877

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2,3-dihydro-1-benzofuran-2-yl)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[1-(2,3-dihydro-1-benzofuran-2-yl)ethyl]benzamide (CID 110179030) is 4-chloro-N-[1-(2,3-dihydro-1-benzofuran-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-(2,3-dihydro-1-benzofuran-2-yl)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[1-(2,3-dihydro-1-benzofuran-2-yl)ethyl]benzamide is CC(NC(=O)c1ccc(Cl)cc1)C1Cc2ccccc2O1.
What is the InChIKey of 4-chloro-N-[1-(2,3-dihydro-1-benzofuran-2-yl)ethyl]benzamide?
The InChIKey is XSIMPCGLZOXJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-11(16-10-13-4-2-3-5-15(13)21-16)19-17(20)12-6-8-14(18)9-7-12/h2-9,11,16H,10H2,1H3,(H,19,20).
What are the key properties of 4-chloro-N-[1-(2,3-dihydro-1-benzofuran-2-yl)ethyl]benzamide?
4-chloro-N-[1-(2,3-dihydro-1-benzofuran-2-yl)ethyl]benzamide has a molecular weight of 301.77 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2,3-dihydro-1-benzofuran-2-yl)ethyl]benzamide is sourced from PubChem (CID 110179030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).