N-(3-aminophenyl)furan-2-carboxamide

C11H10N2O2 — CID 721117

IUPACN-(3-aminophenyl)furan-2-carboxamide
SMILESNc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C11H10N2O2/c12-8-3-1-4-9(7-8)13-11(14)10-5-2-6-15-10/h1-7H,12H2,(H,13,14)
InChIKeyDNCIKRMVVUFNGX-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.11
Rot. Bonds2

About N-(3-aminophenyl)furan-2-carboxamide

N-(3-aminophenyl)furan-2-carboxamide (PubChem CID 721117) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is N-(3-aminophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)furan-2-carboxamide
PubChem CID721117
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC NameN-(3-aminophenyl)furan-2-carboxamide
SMILESNc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C11H10N2O2/c12-8-3-1-4-9(7-8)13-11(14)10-5-2-6-15-10/h1-7H,12H2,(H,13,14)
InChIKeyDNCIKRMVVUFNGX-UHFFFAOYSA-N
XLogP2.11
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-aminophenyl)furan-2-carboxamide 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-(3-aminophenyl)furan-2-carboxamide?
The IUPAC name of N-(3-aminophenyl)furan-2-carboxamide (CID 721117) is N-(3-aminophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)furan-2-carboxamide?
The canonical SMILES for N-(3-aminophenyl)furan-2-carboxamide is Nc1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-(3-aminophenyl)furan-2-carboxamide?
The InChIKey is DNCIKRMVVUFNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c12-8-3-1-4-9(7-8)13-11(14)10-5-2-6-15-10/h1-7H,12H2,(H,13,14).
What are the key properties of N-(3-aminophenyl)furan-2-carboxamide?
N-(3-aminophenyl)furan-2-carboxamide has a molecular weight of 202.21 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)furan-2-carboxamide is sourced from PubChem (CID 721117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).