2-butylbenzamide

C11H15NO — CID 15468173

IUPAC2-butylbenzamide
SMILESCCCCc1ccccc1C(N)=O
InChIInChI=1S/C11H15NO/c1-2-3-6-9-7-4-5-8-10(9)11(12)13/h4-5,7-8H,2-3,6H2,1H3,(H2,12,13)
InChIKeyHEFNEJFJFIYIDG-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.13
Rot. Bonds4

About 2-butylbenzamide

2-butylbenzamide (PubChem CID 15468173) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-butylbenzamide.

Molecular Properties

Compound Name2-butylbenzamide
PubChem CID15468173
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-butylbenzamide
SMILESCCCCc1ccccc1C(N)=O
InChIInChI=1S/C11H15NO/c1-2-3-6-9-7-4-5-8-10(9)11(12)13/h4-5,7-8H,2-3,6H2,1H3,(H2,12,13)
InChIKeyHEFNEJFJFIYIDG-UHFFFAOYSA-N
XLogP2.13
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-octylbenzamide
CID 11148995
2-(4-aminooctyl)benzamide
CID 57359484
2-(2-pentylphenyl)benzamide
CID 174986965
2-(3-chloropropyl)benzamide
CID 135741565
azane;2-butylbenzoic acid
CID 174819524
bis(2-butylbenzoate);cadmium(2+)
CID 101299924
4,6-dihexylbenzene-1,3-dicarboxamide
CID 140600774
3-butyl-2-ethynylbenzamide
CID 87841210
3-butyl-2-sulfamoylbenzamide
CID 122670193
bis(2-butylbenzoyl) benzene-1,2-dicarboxylate
CID 87505801
2-butyl-N'-hydroxybenzenecarboximidamide
CID 141269238
2-[[butyl(methyl)amino]methyl]benzamide
CID 82040849

Frequently Asked Questions

What is the IUPAC name of 2-butylbenzamide?
The IUPAC name of 2-butylbenzamide (CID 15468173) is 2-butylbenzamide.
What is the SMILES notation for 2-butylbenzamide?
The canonical SMILES for 2-butylbenzamide is CCCCc1ccccc1C(N)=O.
What is the InChIKey of 2-butylbenzamide?
The InChIKey is HEFNEJFJFIYIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-3-6-9-7-4-5-8-10(9)11(12)13/h4-5,7-8H,2-3,6H2,1H3,(H2,12,13).
What are the key properties of 2-butylbenzamide?
2-butylbenzamide has a molecular weight of 177.25 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylbenzamide is sourced from PubChem (CID 15468173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).