N-(N-benzoylcarbamimidoyl)benzamide

C15H13N3O2 — CID 138971088

IUPACN-(N-benzoylcarbamimidoyl)benzamide
SMILES[H]N=C(NC(=O)c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C15H13N3O2/c16-15(17-13(19)11-7-3-1-4-8-11)18-14(20)12-9-5-2-6-10-12/h1-10H,(H3,16,17,18,19,20)
InChIKeyUDTFOUKVNYOVEH-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.78
Rot. Bonds2

About N-(N-benzoylcarbamimidoyl)benzamide

N-(N-benzoylcarbamimidoyl)benzamide (PubChem CID 138971088) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(N-benzoylcarbamimidoyl)benzamide.

Molecular Properties

Compound NameN-(N-benzoylcarbamimidoyl)benzamide
PubChem CID138971088
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC NameN-(N-benzoylcarbamimidoyl)benzamide
SMILES[H]N=C(NC(=O)c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C15H13N3O2/c16-15(17-13(19)11-7-3-1-4-8-11)18-14(20)12-9-5-2-6-10-12/h1-10H,(H3,16,17,18,19,20)
InChIKeyUDTFOUKVNYOVEH-UHFFFAOYSA-N
XLogP1.78
TPSA82.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 N-(N-benzoylcarbamimidoyl)benzamide?
The IUPAC name of N-(N-benzoylcarbamimidoyl)benzamide (CID 138971088) is N-(N-benzoylcarbamimidoyl)benzamide.
What is the SMILES notation for N-(N-benzoylcarbamimidoyl)benzamide?
The canonical SMILES for N-(N-benzoylcarbamimidoyl)benzamide is [H]N=C(NC(=O)c1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of N-(N-benzoylcarbamimidoyl)benzamide?
The InChIKey is UDTFOUKVNYOVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-15(17-13(19)11-7-3-1-4-8-11)18-14(20)12-9-5-2-6-10-12/h1-10H,(H3,16,17,18,19,20).
What are the key properties of N-(N-benzoylcarbamimidoyl)benzamide?
N-(N-benzoylcarbamimidoyl)benzamide has a molecular weight of 267.29 g/mol, XLogP of 1.78, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N-benzoylcarbamimidoyl)benzamide is sourced from PubChem (CID 138971088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).