2-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzamide

C14H16N2O2 — CID 890561

IUPAC2-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzamide
SMILESNC(=O)c1ccccc1N/C=C1\CCCCC1=O
InChIInChI=1S/C14H16N2O2/c15-14(18)11-6-2-3-7-12(11)16-9-10-5-1-4-8-13(10)17/h2-3,6-7,9,16H,1,4-5,8H2,(H2,15,18)/b10-9+
InChIKeyKHTRJRPNPUBQOC-MDZDMXLPSA-N
MW244.29 g/mol
LogP2.22
Rot. Bonds3

About 2-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzamide

2-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzamide (PubChem CID 890561) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzamide.

Molecular Properties

Compound Name2-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzamide
PubChem CID890561
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzamide
SMILESNC(=O)c1ccccc1N/C=C1\CCCCC1=O
InChIInChI=1S/C14H16N2O2/c15-14(18)11-6-2-3-7-12(11)16-9-10-5-1-4-8-13(10)17/h2-3,6-7,9,16H,1,4-5,8H2,(H2,15,18)/b10-9+
InChIKeyKHTRJRPNPUBQOC-MDZDMXLPSA-N
XLogP2.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzamide?
The IUPAC name of 2-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzamide (CID 890561) is 2-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzamide.
What is the SMILES notation for 2-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzamide?
The canonical SMILES for 2-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzamide is NC(=O)c1ccccc1N/C=C1\CCCCC1=O.
What is the InChIKey of 2-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzamide?
The InChIKey is KHTRJRPNPUBQOC-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-14(18)11-6-2-3-7-12(11)16-9-10-5-1-4-8-13(10)17/h2-3,6-7,9,16H,1,4-5,8H2,(H2,15,18)/b10-9+.
What are the key properties of 2-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzamide?
2-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzamide has a molecular weight of 244.29 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzamide is sourced from PubChem (CID 890561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).