4-chloro-2-(furan-2-carboximidoyl)aniline

C11H9ClN2O — CID 18944469

IUPAC4-chloro-2-(furan-2-carboximidoyl)aniline
SMILES[H]/N=C(\c1ccco1)c1cc(Cl)ccc1N
InChIInChI=1S/C11H9ClN2O/c12-7-3-4-9(13)8(6-7)11(14)10-2-1-5-15-10/h1-6,14H,13H2/b14-11-
InChIKeyZPIFYTSXUWIELE-KAMYIIQDSA-N
MW220.66 g/mol
LogP2.93
Rot. Bonds2

About 4-chloro-2-(furan-2-carboximidoyl)aniline

4-chloro-2-(furan-2-carboximidoyl)aniline (PubChem CID 18944469) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 4-chloro-2-(furan-2-carboximidoyl)aniline.

Molecular Properties

Compound Name4-chloro-2-(furan-2-carboximidoyl)aniline
PubChem CID18944469
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name4-chloro-2-(furan-2-carboximidoyl)aniline
SMILES[H]/N=C(\c1ccco1)c1cc(Cl)ccc1N
InChIInChI=1S/C11H9ClN2O/c12-7-3-4-9(13)8(6-7)11(14)10-2-1-5-15-10/h1-6,14H,13H2/b14-11-
InChIKeyZPIFYTSXUWIELE-KAMYIIQDSA-N
XLogP2.93
TPSA63.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(furan-2-carboximidoyl)aniline?
The IUPAC name of 4-chloro-2-(furan-2-carboximidoyl)aniline (CID 18944469) is 4-chloro-2-(furan-2-carboximidoyl)aniline.
What is the SMILES notation for 4-chloro-2-(furan-2-carboximidoyl)aniline?
The canonical SMILES for 4-chloro-2-(furan-2-carboximidoyl)aniline is [H]/N=C(\c1ccco1)c1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-(furan-2-carboximidoyl)aniline?
The InChIKey is ZPIFYTSXUWIELE-KAMYIIQDSA-N. The full InChI is InChI=1S/C11H9ClN2O/c12-7-3-4-9(13)8(6-7)11(14)10-2-1-5-15-10/h1-6,14H,13H2/b14-11-.
What are the key properties of 4-chloro-2-(furan-2-carboximidoyl)aniline?
4-chloro-2-(furan-2-carboximidoyl)aniline has a molecular weight of 220.66 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(furan-2-carboximidoyl)aniline is sourced from PubChem (CID 18944469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).