JDCKFZKIONSZHJ-UHFFFAOYSA-N

Name: JDCKFZKIONSZHJ-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₅NO₃ — CID 18445301

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-(4-oxocyclohexyl)oxybenzamide

SMILESNC(=O)c1ccc(OC2CCC(=O)CC2)cc1

InChIInChI=1S/C13H15NO3/c14-13(16)9-1-5-11(6-2-9)17-12-7-3-10(15)4-8-12/h1-2,5-6,12H,3-4,7-8H2,(H2,14,16)

InChIKeyJDCKFZKIONSZHJ-UHFFFAOYSA-N

MW233.27 g/mol

LogP1.68

Rot. Bonds3

About JDCKFZKIONSZHJ-UHFFFAOYSA-N

JDCKFZKIONSZHJ-UHFFFAOYSA-N (PubChem CID 18445301) has the molecular formula C₁₃H₁₅NO₃ and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(4-oxocyclohexyl)oxybenzamide.

Molecular Properties

Compound Name	JDCKFZKIONSZHJ-UHFFFAOYSA-N
PubChem CID	18445301
Molecular Formula	C₁₃H₁₅NO₃
Molecular Weight	233.27 g/mol
Exact Mass	233.11
IUPAC Name	4-(4-oxocyclohexyl)oxybenzamide
SMILES	NC(=O)c1ccc(OC2CCC(=O)CC2)cc1
InChI	InChI=1S/C13H15NO3/c14-13(16)9-1-5-11(6-2-9)17-12-7-3-10(15)4-8-12/h1-2,5-6,12H,3-4,7-8H2,(H2,14,16)
InChIKey	JDCKFZKIONSZHJ-UHFFFAOYSA-N
XLogP	1.68
TPSA	69.39 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	233.27
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of JDCKFZKIONSZHJ-UHFFFAOYSA-N?

The IUPAC name of JDCKFZKIONSZHJ-UHFFFAOYSA-N (CID 18445301) is 4-(4-oxocyclohexyl)oxybenzamide.

What is the SMILES notation for JDCKFZKIONSZHJ-UHFFFAOYSA-N?

The canonical SMILES for JDCKFZKIONSZHJ-UHFFFAOYSA-N is NC(=O)c1ccc(OC2CCC(=O)CC2)cc1.

What is the InChIKey of JDCKFZKIONSZHJ-UHFFFAOYSA-N?

The InChIKey is JDCKFZKIONSZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c14-13(16)9-1-5-11(6-2-9)17-12-7-3-10(15)4-8-12/h1-2,5-6,12H,3-4,7-8H2,(H2,14,16).

What are the key properties of JDCKFZKIONSZHJ-UHFFFAOYSA-N?

JDCKFZKIONSZHJ-UHFFFAOYSA-N has a molecular weight of 233.27 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for JDCKFZKIONSZHJ-UHFFFAOYSA-N is sourced from PubChem (CID 18445301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 18445301 — identifiers, structure, computed properties (public domain)

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