2-chloro-4-phenoxybenzenecarboximidamide

C13H11ClN2O — CID 62947206

IUPAC2-chloro-4-phenoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccccc2)cc1Cl
InChIInChI=1S/C13H11ClN2O/c14-12-8-10(6-7-11(12)13(15)16)17-9-4-2-1-3-5-9/h1-8H,(H3,15,16)
InChIKeyUINJPTQFKYNWNL-UHFFFAOYSA-N
MW246.70 g/mol
LogP3.42
Rot. Bonds3

About 2-chloro-4-phenoxybenzenecarboximidamide

2-chloro-4-phenoxybenzenecarboximidamide (PubChem CID 62947206) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is 2-chloro-4-phenoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-phenoxybenzenecarboximidamide
PubChem CID62947206
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name2-chloro-4-phenoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccccc2)cc1Cl
InChIInChI=1S/C13H11ClN2O/c14-12-8-10(6-7-11(12)13(15)16)17-9-4-2-1-3-5-9/h1-8H,(H3,15,16)
InChIKeyUINJPTQFKYNWNL-UHFFFAOYSA-N
XLogP3.42
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenoxybenzenecarboximidamide?
The IUPAC name of 2-chloro-4-phenoxybenzenecarboximidamide (CID 62947206) is 2-chloro-4-phenoxybenzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-phenoxybenzenecarboximidamide?
The canonical SMILES for 2-chloro-4-phenoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2ccccc2)cc1Cl.
What is the InChIKey of 2-chloro-4-phenoxybenzenecarboximidamide?
The InChIKey is UINJPTQFKYNWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c14-12-8-10(6-7-11(12)13(15)16)17-9-4-2-1-3-5-9/h1-8H,(H3,15,16).
What are the key properties of 2-chloro-4-phenoxybenzenecarboximidamide?
2-chloro-4-phenoxybenzenecarboximidamide has a molecular weight of 246.70 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenoxybenzenecarboximidamide is sourced from PubChem (CID 62947206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).