N-amino-2-chloro-N'-phenylfuran-3-carboximidamide

C11H10ClN3O — CID 106689536

IUPACN-amino-2-chloro-N'-phenylfuran-3-carboximidamide
SMILESNN/C(=N\c1ccccc1)c1ccoc1Cl
InChIInChI=1S/C11H10ClN3O/c12-10-9(6-7-16-10)11(15-13)14-8-4-2-1-3-5-8/h1-7H,13H2,(H,14,15)
InChIKeyJYPBVQWWUPYVEX-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.47
Rot. Bonds2

About N-amino-2-chloro-N'-phenylfuran-3-carboximidamide

N-amino-2-chloro-N'-phenylfuran-3-carboximidamide (PubChem CID 106689536) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is N-amino-2-chloro-N'-phenylfuran-3-carboximidamide.

Molecular Properties

Compound NameN-amino-2-chloro-N'-phenylfuran-3-carboximidamide
PubChem CID106689536
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC NameN-amino-2-chloro-N'-phenylfuran-3-carboximidamide
SMILESNN/C(=N\c1ccccc1)c1ccoc1Cl
InChIInChI=1S/C11H10ClN3O/c12-10-9(6-7-16-10)11(15-13)14-8-4-2-1-3-5-8/h1-7H,13H2,(H,14,15)
InChIKeyJYPBVQWWUPYVEX-UHFFFAOYSA-N
XLogP2.47
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-2-chloro-N'-phenylfuran-3-carboximidamide?
The IUPAC name of N-amino-2-chloro-N'-phenylfuran-3-carboximidamide (CID 106689536) is N-amino-2-chloro-N'-phenylfuran-3-carboximidamide.
What is the SMILES notation for N-amino-2-chloro-N'-phenylfuran-3-carboximidamide?
The canonical SMILES for N-amino-2-chloro-N'-phenylfuran-3-carboximidamide is NN/C(=N\c1ccccc1)c1ccoc1Cl.
What is the InChIKey of N-amino-2-chloro-N'-phenylfuran-3-carboximidamide?
The InChIKey is JYPBVQWWUPYVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c12-10-9(6-7-16-10)11(15-13)14-8-4-2-1-3-5-8/h1-7H,13H2,(H,14,15).
What are the key properties of N-amino-2-chloro-N'-phenylfuran-3-carboximidamide?
N-amino-2-chloro-N'-phenylfuran-3-carboximidamide has a molecular weight of 235.67 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2-chloro-N'-phenylfuran-3-carboximidamide is sourced from PubChem (CID 106689536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).