4-[(2-oxocyclohexyl)methyl]benzamide

C14H17NO2 — CID 18698705

IUPAC4-[(2-oxocyclohexyl)methyl]benzamide
SMILESNC(=O)c1ccc(CC2CCCCC2=O)cc1
InChIInChI=1S/C14H17NO2/c15-14(17)11-7-5-10(6-8-11)9-12-3-1-2-4-13(12)16/h5-8,12H,1-4,9H2,(H2,15,17)
InChIKeyOKIIOFOFQACXRC-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.09
Rot. Bonds3

About 4-[(2-oxocyclohexyl)methyl]benzamide

4-[(2-oxocyclohexyl)methyl]benzamide (PubChem CID 18698705) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-[(2-oxocyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(2-oxocyclohexyl)methyl]benzamide
PubChem CID18698705
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name4-[(2-oxocyclohexyl)methyl]benzamide
SMILESNC(=O)c1ccc(CC2CCCCC2=O)cc1
InChIInChI=1S/C14H17NO2/c15-14(17)11-7-5-10(6-8-11)9-12-3-1-2-4-13(12)16/h5-8,12H,1-4,9H2,(H2,15,17)
InChIKeyOKIIOFOFQACXRC-UHFFFAOYSA-N
XLogP2.09
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxocyclohexyl)methyl]benzamide?
The IUPAC name of 4-[(2-oxocyclohexyl)methyl]benzamide (CID 18698705) is 4-[(2-oxocyclohexyl)methyl]benzamide.
What is the SMILES notation for 4-[(2-oxocyclohexyl)methyl]benzamide?
The canonical SMILES for 4-[(2-oxocyclohexyl)methyl]benzamide is NC(=O)c1ccc(CC2CCCCC2=O)cc1.
What is the InChIKey of 4-[(2-oxocyclohexyl)methyl]benzamide?
The InChIKey is OKIIOFOFQACXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c15-14(17)11-7-5-10(6-8-11)9-12-3-1-2-4-13(12)16/h5-8,12H,1-4,9H2,(H2,15,17).
What are the key properties of 4-[(2-oxocyclohexyl)methyl]benzamide?
4-[(2-oxocyclohexyl)methyl]benzamide has a molecular weight of 231.30 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxocyclohexyl)methyl]benzamide is sourced from PubChem (CID 18698705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).