5-chloro-N-[2-(dimethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C17H17ClN2O2 — CID 46600537

IUPAC5-chloro-N-[2-(dimethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCN(C)c1ccccc1NC(=O)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C17H17ClN2O2/c1-20(2)14-6-4-3-5-13(14)19-17(21)16-10-11-9-12(18)7-8-15(11)22-16/h3-9,16H,10H2,1-2H3,(H,19,21)
InChIKeyTZUADALTNGSKDJ-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.35
Rot. Bonds3

About 5-chloro-N-[2-(dimethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

5-chloro-N-[2-(dimethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 46600537) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 5-chloro-N-[2-(dimethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(dimethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID46600537
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name5-chloro-N-[2-(dimethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCN(C)c1ccccc1NC(=O)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C17H17ClN2O2/c1-20(2)14-6-4-3-5-13(14)19-17(21)16-10-11-9-12(18)7-8-15(11)22-16/h3-9,16H,10H2,1-2H3,(H,19,21)
InChIKeyTZUADALTNGSKDJ-UHFFFAOYSA-N
XLogP3.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43013499
5-chloro-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 46616235
5-chloro-N-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089364
5-chloro-N-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42893127
5-chloro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 166206767
(2R)-5-chloro-N-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 35035471
5-chloro-N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43013531
(2R)-5-chloro-N-isoquinolin-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 39995800
(2R)-5-chloro-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8006571
1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanone
CID 67297085
5-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43500568
N-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089270

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(dimethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(dimethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 46600537) is 5-chloro-N-[2-(dimethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(dimethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(dimethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is CN(C)c1ccccc1NC(=O)C1Cc2cc(Cl)ccc2O1.
What is the InChIKey of 5-chloro-N-[2-(dimethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is TZUADALTNGSKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-20(2)14-6-4-3-5-13(14)19-17(21)16-10-11-9-12(18)7-8-15(11)22-16/h3-9,16H,10H2,1-2H3,(H,19,21).
What are the key properties of 5-chloro-N-[2-(dimethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
5-chloro-N-[2-(dimethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 316.79 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(dimethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46600537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).