4-octylbenzamide;hydrochloride

C15H24ClNO — CID 131740255

IUPAC4-octylbenzamide;hydrochloride
SMILESCCCCCCCCc1ccc(C(N)=O)cc1.Cl
InChIInChI=1S/C15H23NO.ClH/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16)17;/h9-12H,2-8H2,1H3,(H2,16,17);1H
InChIKeySIKPUGQJCOJJPH-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.11
Rot. Bonds8

About 4-octylbenzamide;hydrochloride

4-octylbenzamide;hydrochloride (PubChem CID 131740255) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 4-octylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-octylbenzamide;hydrochloride
PubChem CID131740255
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name4-octylbenzamide;hydrochloride
SMILESCCCCCCCCc1ccc(C(N)=O)cc1.Cl
InChIInChI=1S/C15H23NO.ClH/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16)17;/h9-12H,2-8H2,1H3,(H2,16,17);1H
InChIKeySIKPUGQJCOJJPH-UHFFFAOYSA-N
XLogP4.11
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.11
H-Bond Donors ≤ 51
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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ethyl 4-octylbenzoate
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sodium 4-decylbenzoate
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4-decylbenzenecarboximidamide;hydrochloride
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3-chloro-1-(4-heptylphenyl)propan-1-one
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4-[2-(4-carbamoylphenyl)ethyl]benzamide
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1-(4-hexylphenyl)-2,2-dimethylpropan-1-one
CID 59409785
2-bromo-1-(4-octylphenyl)ethanone
CID 11301375
2-methyl-1-(4-octadecylphenyl)propan-1-one
CID 14770317
4-(4-dodecylphenyl)benzoic acid
CID 3092136

Frequently Asked Questions

What is the IUPAC name of 4-octylbenzamide;hydrochloride?
The IUPAC name of 4-octylbenzamide;hydrochloride (CID 131740255) is 4-octylbenzamide;hydrochloride.
What is the SMILES notation for 4-octylbenzamide;hydrochloride?
The canonical SMILES for 4-octylbenzamide;hydrochloride is CCCCCCCCc1ccc(C(N)=O)cc1.Cl.
What is the InChIKey of 4-octylbenzamide;hydrochloride?
The InChIKey is SIKPUGQJCOJJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.ClH/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16)17;/h9-12H,2-8H2,1H3,(H2,16,17);1H.
What are the key properties of 4-octylbenzamide;hydrochloride?
4-octylbenzamide;hydrochloride has a molecular weight of 269.82 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-octylbenzamide;hydrochloride is sourced from PubChem (CID 131740255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).