2-octylbenzamide

C15H23NO — CID 11148995

IUPAC2-octylbenzamide
SMILESCCCCCCCCc1ccccc1C(N)=O
InChIInChI=1S/C15H23NO/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15(16)17/h8-9,11-12H,2-7,10H2,1H3,(H2,16,17)
InChIKeyOWKWDWLWUBFWPX-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.69
Rot. Bonds8

About 2-octylbenzamide

2-octylbenzamide (PubChem CID 11148995) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-octylbenzamide.

Molecular Properties

Compound Name2-octylbenzamide
PubChem CID11148995
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-octylbenzamide
SMILESCCCCCCCCc1ccccc1C(N)=O
InChIInChI=1S/C15H23NO/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15(16)17/h8-9,11-12H,2-7,10H2,1H3,(H2,16,17)
InChIKeyOWKWDWLWUBFWPX-UHFFFAOYSA-N
XLogP3.69
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.69
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

2-butylbenzamide
CID 15468173
4,6-dihexylbenzene-1,3-dicarboxamide
CID 140600774
2-(2-pentylphenyl)benzamide
CID 174986965
2-(4-aminooctyl)benzamide
CID 57359484
2-docosylbenzenecarboperoxoic acid
CID 90868590
2-carbamoyl-6-octadecylbenzoic acid
CID 69046892
2-dodecylbenzenecarbothioic S-acid
CID 19748613
azane;2-octylbenzoic acid
CID 70171834
CID 159889030
CID 159889030
magnesium;2-hexylbenzoic acid;hydride
CID 173426888
magnesium bis(2-hexylbenzoate)
CID 70520345
zinc bis(2-heptylbenzoate)
CID 101299904

Frequently Asked Questions

What is the IUPAC name of 2-octylbenzamide?
The IUPAC name of 2-octylbenzamide (CID 11148995) is 2-octylbenzamide.
What is the SMILES notation for 2-octylbenzamide?
The canonical SMILES for 2-octylbenzamide is CCCCCCCCc1ccccc1C(N)=O.
What is the InChIKey of 2-octylbenzamide?
The InChIKey is OWKWDWLWUBFWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15(16)17/h8-9,11-12H,2-7,10H2,1H3,(H2,16,17).
What are the key properties of 2-octylbenzamide?
2-octylbenzamide has a molecular weight of 233.36 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octylbenzamide is sourced from PubChem (CID 11148995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).