4-chloro-N-ethyl-N-octylbenzamide

C17H26ClNO — CID 91716392

IUPAC4-chloro-N-ethyl-N-octylbenzamide
SMILESCCCCCCCCN(CC)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H26ClNO/c1-3-5-6-7-8-9-14-19(4-2)17(20)15-10-12-16(18)13-11-15/h10-13H,3-9,14H2,1-2H3
InChIKeyZKRCJPYLGITCOL-UHFFFAOYSA-N
MW295.85 g/mol
LogP5.16
Rot. Bonds9

About 4-chloro-N-ethyl-N-octylbenzamide

4-chloro-N-ethyl-N-octylbenzamide (PubChem CID 91716392) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 4-chloro-N-ethyl-N-octylbenzamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-N-octylbenzamide
PubChem CID91716392
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name4-chloro-N-ethyl-N-octylbenzamide
SMILESCCCCCCCCN(CC)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H26ClNO/c1-3-5-6-7-8-9-14-19(4-2)17(20)15-10-12-16(18)13-11-15/h10-13H,3-9,14H2,1-2H3
InChIKeyZKRCJPYLGITCOL-UHFFFAOYSA-N
XLogP5.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.85
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-N-octylbenzamide?
The IUPAC name of 4-chloro-N-ethyl-N-octylbenzamide (CID 91716392) is 4-chloro-N-ethyl-N-octylbenzamide.
What is the SMILES notation for 4-chloro-N-ethyl-N-octylbenzamide?
The canonical SMILES for 4-chloro-N-ethyl-N-octylbenzamide is CCCCCCCCN(CC)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-ethyl-N-octylbenzamide?
The InChIKey is ZKRCJPYLGITCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-3-5-6-7-8-9-14-19(4-2)17(20)15-10-12-16(18)13-11-15/h10-13H,3-9,14H2,1-2H3.
What are the key properties of 4-chloro-N-ethyl-N-octylbenzamide?
4-chloro-N-ethyl-N-octylbenzamide has a molecular weight of 295.85 g/mol, XLogP of 5.16, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-N-octylbenzamide is sourced from PubChem (CID 91716392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).