N-benzoyl-N-carbamimidoylbenzamide

C15H13N3O2 — CID 22986989

IUPACN-benzoyl-N-carbamimidoylbenzamide
SMILES[H]/N=C(\N)N(C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C15H13N3O2/c16-15(17)18(13(19)11-7-3-1-4-8-11)14(20)12-9-5-2-6-10-12/h1-10H,(H3,16,17)
InChIKeyHNRCPNNYTFPATK-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.86
Rot. Bonds2

About N-benzoyl-N-carbamimidoylbenzamide

N-benzoyl-N-carbamimidoylbenzamide (PubChem CID 22986989) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-benzoyl-N-carbamimidoylbenzamide.

Molecular Properties

Compound NameN-benzoyl-N-carbamimidoylbenzamide
PubChem CID22986989
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC NameN-benzoyl-N-carbamimidoylbenzamide
SMILES[H]/N=C(\N)N(C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C15H13N3O2/c16-15(17)18(13(19)11-7-3-1-4-8-11)14(20)12-9-5-2-6-10-12/h1-10H,(H3,16,17)
InChIKeyHNRCPNNYTFPATK-UHFFFAOYSA-N
XLogP1.86
TPSA87.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzoyl-N-carbamimidoylbenzamide?
The IUPAC name of N-benzoyl-N-carbamimidoylbenzamide (CID 22986989) is N-benzoyl-N-carbamimidoylbenzamide.
What is the SMILES notation for N-benzoyl-N-carbamimidoylbenzamide?
The canonical SMILES for N-benzoyl-N-carbamimidoylbenzamide is [H]/N=C(\N)N(C(=O)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of N-benzoyl-N-carbamimidoylbenzamide?
The InChIKey is HNRCPNNYTFPATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-15(17)18(13(19)11-7-3-1-4-8-11)14(20)12-9-5-2-6-10-12/h1-10H,(H3,16,17).
What are the key properties of N-benzoyl-N-carbamimidoylbenzamide?
N-benzoyl-N-carbamimidoylbenzamide has a molecular weight of 267.29 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzoyl-N-carbamimidoylbenzamide is sourced from PubChem (CID 22986989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).