N-(4-amino-2-chlorophenyl)furan-2-carboxamide

C11H9ClN2O2 — CID 721121

IUPACN-(4-amino-2-chlorophenyl)furan-2-carboxamide
SMILESNc1ccc(NC(=O)c2ccco2)c(Cl)c1
InChIInChI=1S/C11H9ClN2O2/c12-8-6-7(13)3-4-9(8)14-11(15)10-2-1-5-16-10/h1-6H,13H2,(H,14,15)
InChIKeyXGIDNOGYXJDQFW-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.77
Rot. Bonds2

About N-(4-amino-2-chlorophenyl)furan-2-carboxamide

N-(4-amino-2-chlorophenyl)furan-2-carboxamide (PubChem CID 721121) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)furan-2-carboxamide
PubChem CID721121
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC NameN-(4-amino-2-chlorophenyl)furan-2-carboxamide
SMILESNc1ccc(NC(=O)c2ccco2)c(Cl)c1
InChIInChI=1S/C11H9ClN2O2/c12-8-6-7(13)3-4-9(8)14-11(15)10-2-1-5-16-10/h1-6H,13H2,(H,14,15)
InChIKeyXGIDNOGYXJDQFW-UHFFFAOYSA-N
XLogP2.77
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.77
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 N-(4-amino-2-chlorophenyl)furan-2-carboxamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)furan-2-carboxamide (CID 721121) is N-(4-amino-2-chlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)furan-2-carboxamide is Nc1ccc(NC(=O)c2ccco2)c(Cl)c1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)furan-2-carboxamide?
The InChIKey is XGIDNOGYXJDQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c12-8-6-7(13)3-4-9(8)14-11(15)10-2-1-5-16-10/h1-6H,13H2,(H,14,15).
What are the key properties of N-(4-amino-2-chlorophenyl)furan-2-carboxamide?
N-(4-amino-2-chlorophenyl)furan-2-carboxamide has a molecular weight of 236.66 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 721121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).