N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide

C16H19ClN2O3 — CID 86794439

IUPACN-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
SMILESO=C(Nc1cc(Cl)cc2c1OCC2)N1CCOC2(CCC2)C1
InChIInChI=1S/C16H19ClN2O3/c17-12-8-11-2-6-21-14(11)13(9-12)18-15(20)19-5-7-22-16(10-19)3-1-4-16/h8-9H,1-7,10H2,(H,18,20)
InChIKeyZFZCVCDYZUTCKU-UHFFFAOYSA-N
MW322.79 g/mol
LogP3.06
Rot. Bonds1

About N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide

N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide (PubChem CID 86794439) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
PubChem CID86794439
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC NameN-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
SMILESO=C(Nc1cc(Cl)cc2c1OCC2)N1CCOC2(CCC2)C1
InChIInChI=1S/C16H19ClN2O3/c17-12-8-11-2-6-21-14(11)13(9-12)18-15(20)19-5-7-22-16(10-19)3-1-4-16/h8-9H,1-7,10H2,(H,18,20)
InChIKeyZFZCVCDYZUTCKU-UHFFFAOYSA-N
XLogP3.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The IUPAC name of N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide (CID 86794439) is N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide.
What is the SMILES notation for N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The canonical SMILES for N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide is O=C(Nc1cc(Cl)cc2c1OCC2)N1CCOC2(CCC2)C1.
What is the InChIKey of N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The InChIKey is ZFZCVCDYZUTCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c17-12-8-11-2-6-21-14(11)13(9-12)18-15(20)19-5-7-22-16(10-19)3-1-4-16/h8-9H,1-7,10H2,(H,18,20).
What are the key properties of N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide has a molecular weight of 322.79 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide is sourced from PubChem (CID 86794439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).