(2R)-5-chloro-N-isoquinolin-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide

C18H13ClN2O2 — CID 39995800

IUPAC(2R)-5-chloro-N-isoquinolin-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc2cnccc12)[C@H]1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C18H13ClN2O2/c19-13-4-5-16-12(8-13)9-17(23-16)18(22)21-15-3-1-2-11-10-20-7-6-14(11)15/h1-8,10,17H,9H2,(H,21,22)/t17-/m1/s1
InChIKeyZADKSKJJUBYLRW-QGZVFWFLSA-N
MW324.77 g/mol
LogP3.83
Rot. Bonds2

About (2R)-5-chloro-N-isoquinolin-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide

(2R)-5-chloro-N-isoquinolin-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 39995800) has the molecular formula C18H13ClN2O2 and a molecular weight of 324.77 g/mol. Its IUPAC name is (2R)-5-chloro-N-isoquinolin-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-5-chloro-N-isoquinolin-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID39995800
Molecular FormulaC18H13ClN2O2
Molecular Weight324.77 g/mol
Exact Mass324.07
IUPAC Name(2R)-5-chloro-N-isoquinolin-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc2cnccc12)[C@H]1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C18H13ClN2O2/c19-13-4-5-16-12(8-13)9-17(23-16)18(22)21-15-3-1-2-11-10-20-7-6-14(11)15/h1-8,10,17H,9H2,(H,21,22)/t17-/m1/s1
InChIKeyZADKSKJJUBYLRW-QGZVFWFLSA-N
XLogP3.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43013499
5-chloro-N-[2-(dimethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 46600537
(2R)-5-chloro-N-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 35035471
5-chloro-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 46616235
2-amino-N-isoquinolin-5-ylcyclopropane-1-carboxamide
CID 114995606
5-chloro-N-(1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51295628
(2S)-5-chloro-N'-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 94104892
5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 46652079
5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18090235
(2S)-5-chloro-N-(1-methylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 32606463

Frequently Asked Questions

What is the IUPAC name of (2R)-5-chloro-N-isoquinolin-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-5-chloro-N-isoquinolin-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide (CID 39995800) is (2R)-5-chloro-N-isoquinolin-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-5-chloro-N-isoquinolin-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-5-chloro-N-isoquinolin-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(Nc1cccc2cnccc12)[C@H]1Cc2cc(Cl)ccc2O1.
What is the InChIKey of (2R)-5-chloro-N-isoquinolin-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is ZADKSKJJUBYLRW-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H13ClN2O2/c19-13-4-5-16-12(8-13)9-17(23-16)18(22)21-15-3-1-2-11-10-20-7-6-14(11)15/h1-8,10,17H,9H2,(H,21,22)/t17-/m1/s1.
What are the key properties of (2R)-5-chloro-N-isoquinolin-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-5-chloro-N-isoquinolin-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 324.77 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-chloro-N-isoquinolin-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 39995800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).