2-(N'-propylcarbamimidoyl)benzamide

C11H15N3O — CID 142215116

IUPAC2-(N'-propylcarbamimidoyl)benzamide
SMILESCCC/N=C(\N)c1ccccc1C(N)=O
InChIInChI=1S/C11H15N3O/c1-2-7-14-10(12)8-5-3-4-6-9(8)11(13)15/h3-6H,2,7H2,1H3,(H2,12,14)(H2,13,15)
InChIKeyDAFABZVYNYLSCU-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.90
Rot. Bonds4

About 2-(N'-propylcarbamimidoyl)benzamide

2-(N'-propylcarbamimidoyl)benzamide (PubChem CID 142215116) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(N'-propylcarbamimidoyl)benzamide.

Molecular Properties

Compound Name2-(N'-propylcarbamimidoyl)benzamide
PubChem CID142215116
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-(N'-propylcarbamimidoyl)benzamide
SMILESCCC/N=C(\N)c1ccccc1C(N)=O
InChIInChI=1S/C11H15N3O/c1-2-7-14-10(12)8-5-3-4-6-9(8)11(13)15/h3-6H,2,7H2,1H3,(H2,12,14)(H2,13,15)
InChIKeyDAFABZVYNYLSCU-UHFFFAOYSA-N
XLogP0.90
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.90
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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Frequently Asked Questions

What is the IUPAC name of 2-(N'-propylcarbamimidoyl)benzamide?
The IUPAC name of 2-(N'-propylcarbamimidoyl)benzamide (CID 142215116) is 2-(N'-propylcarbamimidoyl)benzamide.
What is the SMILES notation for 2-(N'-propylcarbamimidoyl)benzamide?
The canonical SMILES for 2-(N'-propylcarbamimidoyl)benzamide is CCC/N=C(\N)c1ccccc1C(N)=O.
What is the InChIKey of 2-(N'-propylcarbamimidoyl)benzamide?
The InChIKey is DAFABZVYNYLSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-7-14-10(12)8-5-3-4-6-9(8)11(13)15/h3-6H,2,7H2,1H3,(H2,12,14)(H2,13,15).
What are the key properties of 2-(N'-propylcarbamimidoyl)benzamide?
2-(N'-propylcarbamimidoyl)benzamide has a molecular weight of 205.26 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-propylcarbamimidoyl)benzamide is sourced from PubChem (CID 142215116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).