N-[N'-(furan-2-ylmethyl)carbamimidoyl]benzamide

C13H13N3O2 — CID 2065524

IUPACN-[N'-(furan-2-ylmethyl)carbamimidoyl]benzamide
SMILESN/C(=N\Cc1ccco1)NC(=O)c1ccccc1
InChIInChI=1S/C13H13N3O2/c14-13(15-9-11-7-4-8-18-11)16-12(17)10-5-2-1-3-6-10/h1-8H,9H2,(H3,14,15,16,17)
InChIKeyMCSITUVFCIPKPG-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.52
Rot. Bonds3

About N-[N'-(furan-2-ylmethyl)carbamimidoyl]benzamide

N-[N'-(furan-2-ylmethyl)carbamimidoyl]benzamide (PubChem CID 2065524) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[N'-(furan-2-ylmethyl)carbamimidoyl]benzamide.

Molecular Properties

Compound NameN-[N'-(furan-2-ylmethyl)carbamimidoyl]benzamide
PubChem CID2065524
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-[N'-(furan-2-ylmethyl)carbamimidoyl]benzamide
SMILESN/C(=N\Cc1ccco1)NC(=O)c1ccccc1
InChIInChI=1S/C13H13N3O2/c14-13(15-9-11-7-4-8-18-11)16-12(17)10-5-2-1-3-6-10/h1-8H,9H2,(H3,14,15,16,17)
InChIKeyMCSITUVFCIPKPG-UHFFFAOYSA-N
XLogP1.52
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.52
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'}

Analyze N-[N'-(furan-2-ylmethyl)carbamimidoyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[N'-(furan-2-ylmethyl)carbamimidoyl]benzamide?
The IUPAC name of N-[N'-(furan-2-ylmethyl)carbamimidoyl]benzamide (CID 2065524) is N-[N'-(furan-2-ylmethyl)carbamimidoyl]benzamide.
What is the SMILES notation for N-[N'-(furan-2-ylmethyl)carbamimidoyl]benzamide?
The canonical SMILES for N-[N'-(furan-2-ylmethyl)carbamimidoyl]benzamide is N/C(=N\Cc1ccco1)NC(=O)c1ccccc1.
What is the InChIKey of N-[N'-(furan-2-ylmethyl)carbamimidoyl]benzamide?
The InChIKey is MCSITUVFCIPKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c14-13(15-9-11-7-4-8-18-11)16-12(17)10-5-2-1-3-6-10/h1-8H,9H2,(H3,14,15,16,17).
What are the key properties of N-[N'-(furan-2-ylmethyl)carbamimidoyl]benzamide?
N-[N'-(furan-2-ylmethyl)carbamimidoyl]benzamide has a molecular weight of 243.27 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-(furan-2-ylmethyl)carbamimidoyl]benzamide is sourced from PubChem (CID 2065524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).