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

C16H20ClNO2 — CID 8006571

IUPAC(2R)-5-chloro-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NC1CCCCCC1)[C@H]1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C16H20ClNO2/c17-12-7-8-14-11(9-12)10-15(20-14)16(19)18-13-5-3-1-2-4-6-13/h7-9,13,15H,1-6,10H2,(H,18,19)/t15-/m1/s1
InChIKeyFHNZHOBLXQFXFH-OAHLLOKOSA-N
MW293.79 g/mol
LogP3.48
Rot. Bonds2

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

(2R)-5-chloro-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 8006571) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is (2R)-5-chloro-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-5-chloro-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID8006571
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name(2R)-5-chloro-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NC1CCCCCC1)[C@H]1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C16H20ClNO2/c17-12-7-8-14-11(9-12)10-15(20-14)16(19)18-13-5-3-1-2-4-6-13/h7-9,13,15H,1-6,10H2,(H,18,19)/t15-/m1/s1
InChIKeyFHNZHOBLXQFXFH-OAHLLOKOSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 24679615
N-(2-amino-1-cyclohexylethyl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119591964
(2R)-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9082273
5-chloro-N-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42893127
5-chloro-N-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089364
5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42920084
5-chloro-N-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43013499
(2R)-5-chloro-N-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 35035471
5-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43500568
1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanone
CID 67297085
5-chloro-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 46616235
5-chloro-N-(1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51295628

Frequently Asked Questions

What is the IUPAC name of (2R)-5-chloro-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-5-chloro-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide (CID 8006571) is (2R)-5-chloro-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-5-chloro-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-5-chloro-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NC1CCCCCC1)[C@H]1Cc2cc(Cl)ccc2O1.
What is the InChIKey of (2R)-5-chloro-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is FHNZHOBLXQFXFH-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20ClNO2/c17-12-7-8-14-11(9-12)10-15(20-14)16(19)18-13-5-3-1-2-4-6-13/h7-9,13,15H,1-6,10H2,(H,18,19)/t15-/m1/s1.
What are the key properties of (2R)-5-chloro-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-5-chloro-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 293.79 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-chloro-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8006571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).