azepan-1-yl-(5-chloro-1-benzofuran-2-yl)methanone

C15H16ClNO2 — CID 9036818

IUPACazepan-1-yl-(5-chloro-1-benzofuran-2-yl)methanone
SMILESO=C(c1cc2cc(Cl)ccc2o1)N1CCCCCC1
InChIInChI=1S/C15H16ClNO2/c16-12-5-6-13-11(9-12)10-14(19-13)15(18)17-7-3-1-2-4-8-17/h5-6,9-10H,1-4,7-8H2
InChIKeySGUHUBNCEBXPLB-UHFFFAOYSA-N
MW277.75 g/mol
LogP4.10
Rot. Bonds1

About azepan-1-yl-(5-chloro-1-benzofuran-2-yl)methanone

azepan-1-yl-(5-chloro-1-benzofuran-2-yl)methanone (PubChem CID 9036818) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is azepan-1-yl-(5-chloro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(5-chloro-1-benzofuran-2-yl)methanone
PubChem CID9036818
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Nameazepan-1-yl-(5-chloro-1-benzofuran-2-yl)methanone
SMILESO=C(c1cc2cc(Cl)ccc2o1)N1CCCCCC1
InChIInChI=1S/C15H16ClNO2/c16-12-5-6-13-11(9-12)10-14(19-13)15(18)17-7-3-1-2-4-8-17/h5-6,9-10H,1-4,7-8H2
InChIKeySGUHUBNCEBXPLB-UHFFFAOYSA-N
XLogP4.10
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(5-chloro-1-benzofuran-2-yl)methanone?
The IUPAC name of azepan-1-yl-(5-chloro-1-benzofuran-2-yl)methanone (CID 9036818) is azepan-1-yl-(5-chloro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for azepan-1-yl-(5-chloro-1-benzofuran-2-yl)methanone?
The canonical SMILES for azepan-1-yl-(5-chloro-1-benzofuran-2-yl)methanone is O=C(c1cc2cc(Cl)ccc2o1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-(5-chloro-1-benzofuran-2-yl)methanone?
The InChIKey is SGUHUBNCEBXPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c16-12-5-6-13-11(9-12)10-14(19-13)15(18)17-7-3-1-2-4-8-17/h5-6,9-10H,1-4,7-8H2.
What are the key properties of azepan-1-yl-(5-chloro-1-benzofuran-2-yl)methanone?
azepan-1-yl-(5-chloro-1-benzofuran-2-yl)methanone has a molecular weight of 277.75 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(5-chloro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 9036818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).