2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide

C₁₈H₂₅ClN₂O₃ — CID 24554342

About 2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide

2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide (PubChem CID 24554342) has the molecular formula C₁₈H₂₅ClN₂O₃ and a molecular weight of 352.86 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide
• PubChem CID: 24554342
• Molecular Formula: C₁₈H₂₅ClN₂O₃
• Molecular Weight: 352.86 g/mol
• Exact Mass: 352.16
• IUPAC Name: 2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide
• SMILES: O=C(CNC(=O)c1ccccc1Cl)NCCCOC1CCCCC1
• InChI: InChI=1S/C18H25ClN2O3/c19-16-10-5-4-9-15(16)18(23)21-13-17(22)20-11-6-12-24-14-7-2-1-3-8-14/h4-5,9-10,14H,1-3,6-8,11-13H2,(H,20,22)(H,21,23)
• InChIKey: CBJUYNJXZNWGQW-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 67.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.86
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide?

The IUPAC name of 2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide (CID 24554342) is 2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide.

What is the SMILES notation for 2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide?

The canonical SMILES for 2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1Cl)NCCCOC1CCCCC1.

What is the InChIKey of 2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide?

The InChIKey is CBJUYNJXZNWGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3/c19-16-10-5-4-9-15(16)18(23)21-13-17(22)20-11-6-12-24-14-7-2-1-3-8-14/h4-5,9-10,14H,1-3,6-8,11-13H2,(H,20,22)(H,21,23).

What are the key properties of 2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide?

2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide has a molecular weight of 352.86 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 24554342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 24554342 — identifiers, structure, computed properties (public domain)

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