4-amino-N-(furan-2-ylcarbamoyl)benzamide

C12H11N3O3 — CID 108868549

IUPAC4-amino-N-(furan-2-ylcarbamoyl)benzamide
SMILESNc1ccc(C(=O)NC(=O)Nc2ccco2)cc1
InChIInChI=1S/C12H11N3O3/c13-9-5-3-8(4-6-9)11(16)15-12(17)14-10-2-1-7-18-10/h1-7H,13H2,(H2,14,15,16,17)
InChIKeyWLXDWKMHNKECEV-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.82
Rot. Bonds2

About 4-amino-N-(furan-2-ylcarbamoyl)benzamide

4-amino-N-(furan-2-ylcarbamoyl)benzamide (PubChem CID 108868549) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 4-amino-N-(furan-2-ylcarbamoyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(furan-2-ylcarbamoyl)benzamide
PubChem CID108868549
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name4-amino-N-(furan-2-ylcarbamoyl)benzamide
SMILESNc1ccc(C(=O)NC(=O)Nc2ccco2)cc1
InChIInChI=1S/C12H11N3O3/c13-9-5-3-8(4-6-9)11(16)15-12(17)14-10-2-1-7-18-10/h1-7H,13H2,(H2,14,15,16,17)
InChIKeyWLXDWKMHNKECEV-UHFFFAOYSA-N
XLogP1.82
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(furan-2-ylcarbamoyl)benzamide?
The IUPAC name of 4-amino-N-(furan-2-ylcarbamoyl)benzamide (CID 108868549) is 4-amino-N-(furan-2-ylcarbamoyl)benzamide.
What is the SMILES notation for 4-amino-N-(furan-2-ylcarbamoyl)benzamide?
The canonical SMILES for 4-amino-N-(furan-2-ylcarbamoyl)benzamide is Nc1ccc(C(=O)NC(=O)Nc2ccco2)cc1.
What is the InChIKey of 4-amino-N-(furan-2-ylcarbamoyl)benzamide?
The InChIKey is WLXDWKMHNKECEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c13-9-5-3-8(4-6-9)11(16)15-12(17)14-10-2-1-7-18-10/h1-7H,13H2,(H2,14,15,16,17).
What are the key properties of 4-amino-N-(furan-2-ylcarbamoyl)benzamide?
4-amino-N-(furan-2-ylcarbamoyl)benzamide has a molecular weight of 245.24 g/mol, XLogP of 1.82, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(furan-2-ylcarbamoyl)benzamide is sourced from PubChem (CID 108868549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).