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

C17H16ClNO2 — CID 61003695

IUPAC3-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
SMILESO=C(NCC1Cc2ccccc2O1)c1cccc(CCl)c1
InChIInChI=1S/C17H16ClNO2/c18-10-12-4-3-6-14(8-12)17(20)19-11-15-9-13-5-1-2-7-16(13)21-15/h1-8,15H,9-11H2,(H,19,20)
InChIKeyBSFSNKUORIVSBX-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.16
Rot. Bonds4

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

3-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide (PubChem CID 61003695) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 3-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
PubChem CID61003695
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name3-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
SMILESO=C(NCC1Cc2ccccc2O1)c1cccc(CCl)c1
InChIInChI=1S/C17H16ClNO2/c18-10-12-4-3-6-14(8-12)17(20)19-11-15-9-13-5-1-2-7-16(13)21-15/h1-8,15H,9-11H2,(H,19,20)
InChIKeyBSFSNKUORIVSBX-UHFFFAOYSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 107980334
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-hydroxy-4-methylbenzamide
CID 62232665
5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)furan-2-carboxamide
CID 46400999
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide
CID 47026492
3-(cyclopentylsulfamoyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 55613156
3-(benzylsulfamoyl)-4-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 55638298
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methyl-3-methylsulfonylbenzamide
CID 51083815
N-[3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)propyl]benzamide
CID 19065262
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-fluoro-3-methylbenzamide
CID 80710892
3-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylbenzamide
CID 104852428
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 39237930
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-ethoxy-3-methylbenzamide
CID 86938103

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide?
The IUPAC name of 3-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide (CID 61003695) is 3-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide?
The canonical SMILES for 3-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide is O=C(NCC1Cc2ccccc2O1)c1cccc(CCl)c1.
What is the InChIKey of 3-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide?
The InChIKey is BSFSNKUORIVSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c18-10-12-4-3-6-14(8-12)17(20)19-11-15-9-13-5-1-2-7-16(13)21-15/h1-8,15H,9-11H2,(H,19,20).
What are the key properties of 3-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide?
3-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide has a molecular weight of 301.77 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide is sourced from PubChem (CID 61003695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).