N-butanimidoylbenzamide

C11H14N2O — CID 174644030

IUPACN-butanimidoylbenzamide
SMILES[H]/N=C(\CCC)NC(=O)c1ccccc1
InChIInChI=1S/C11H14N2O/c1-2-6-10(12)13-11(14)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H2,12,13,14)
InChIKeyIIAKVBSYACIPHU-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.19
Rot. Bonds3

About N-butanimidoylbenzamide

N-butanimidoylbenzamide (PubChem CID 174644030) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is N-butanimidoylbenzamide.

Molecular Properties

Compound NameN-butanimidoylbenzamide
PubChem CID174644030
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC NameN-butanimidoylbenzamide
SMILES[H]/N=C(\CCC)NC(=O)c1ccccc1
InChIInChI=1S/C11H14N2O/c1-2-6-10(12)13-11(14)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H2,12,13,14)
InChIKeyIIAKVBSYACIPHU-UHFFFAOYSA-N
XLogP2.19
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-oct-2-en-3-ylbenzamide
CID 69089961
methyl N-benzoylcarbamimidothioate
CID 138962835
N-(ethylcarbamoyl)benzamide
CID 23273840
1-phenylbutan-1-one
CID 10315
N-methylbenzamide
CID 11954
[(Z)-[amino(phenyl)methylidene]amino] N-benzoylcarbamimidate
CID 177438943
N-[methyl(pentyl)carbamoyl]benzamide
CID 3378648
N-(2-methyl-3-oxo-1-phenylpent-1-enyl)benzamide
CID 5004684
N-(N-sulfonylcarbamimidoyl)benzamide
CID 140977847
N-ethylbenzamide
CID 160772566
1-phenylbutan-1-one;hydrobromide
CID 139638507
benzohydrazide;propane
CID 90709051

Frequently Asked Questions

What is the IUPAC name of N-butanimidoylbenzamide?
The IUPAC name of N-butanimidoylbenzamide (CID 174644030) is N-butanimidoylbenzamide.
What is the SMILES notation for N-butanimidoylbenzamide?
The canonical SMILES for N-butanimidoylbenzamide is [H]/N=C(\CCC)NC(=O)c1ccccc1.
What is the InChIKey of N-butanimidoylbenzamide?
The InChIKey is IIAKVBSYACIPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-6-10(12)13-11(14)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H2,12,13,14).
What are the key properties of N-butanimidoylbenzamide?
N-butanimidoylbenzamide has a molecular weight of 190.25 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butanimidoylbenzamide is sourced from PubChem (CID 174644030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).