3-amino-N-(furan-2-yl)benzamide

C11H10N2O2 — CID 648090

IUPAC3-amino-N-(furan-2-yl)benzamide
SMILESNc1cccc(C(=O)Nc2ccco2)c1
InChIInChI=1S/C11H10N2O2/c12-9-4-1-3-8(7-9)11(14)13-10-5-2-6-15-10/h1-7H,12H2,(H,13,14)
InChIKeyXSMLPTMYUBIFCA-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.11
Rot. Bonds2

About 3-amino-N-(furan-2-yl)benzamide

3-amino-N-(furan-2-yl)benzamide (PubChem CID 648090) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 3-amino-N-(furan-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-N-(furan-2-yl)benzamide
PubChem CID648090
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name3-amino-N-(furan-2-yl)benzamide
SMILESNc1cccc(C(=O)Nc2ccco2)c1
InChIInChI=1S/C11H10N2O2/c12-9-4-1-3-8(7-9)11(14)13-10-5-2-6-15-10/h1-7H,12H2,(H,13,14)
InChIKeyXSMLPTMYUBIFCA-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(furan-2-yl)benzamide?
The IUPAC name of 3-amino-N-(furan-2-yl)benzamide (CID 648090) is 3-amino-N-(furan-2-yl)benzamide.
What is the SMILES notation for 3-amino-N-(furan-2-yl)benzamide?
The canonical SMILES for 3-amino-N-(furan-2-yl)benzamide is Nc1cccc(C(=O)Nc2ccco2)c1.
What is the InChIKey of 3-amino-N-(furan-2-yl)benzamide?
The InChIKey is XSMLPTMYUBIFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c12-9-4-1-3-8(7-9)11(14)13-10-5-2-6-15-10/h1-7H,12H2,(H,13,14).
What are the key properties of 3-amino-N-(furan-2-yl)benzamide?
3-amino-N-(furan-2-yl)benzamide 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 3-amino-N-(furan-2-yl)benzamide is sourced from PubChem (CID 648090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).