3-[(4-chlorophenyl)methoxy]benzenecarboximidamide

C14H13ClN2O — CID 3008893

IUPAC3-[(4-chlorophenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H13ClN2O/c15-12-6-4-10(5-7-12)9-18-13-3-1-2-11(8-13)14(16)17/h1-8H,9H2,(H3,16,17)
InChIKeyPRXYDZUZMSVJAQ-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.20
Rot. Bonds4

About 3-[(4-chlorophenyl)methoxy]benzenecarboximidamide

3-[(4-chlorophenyl)methoxy]benzenecarboximidamide (PubChem CID 3008893) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methoxy]benzenecarboximidamide
PubChem CID3008893
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name3-[(4-chlorophenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H13ClN2O/c15-12-6-4-10(5-7-12)9-18-13-3-1-2-11(8-13)14(16)17/h1-8H,9H2,(H3,16,17)
InChIKeyPRXYDZUZMSVJAQ-UHFFFAOYSA-N
XLogP3.20
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.20
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 3-[(4-chlorophenyl)methoxy]benzenecarboximidamide?
The IUPAC name of 3-[(4-chlorophenyl)methoxy]benzenecarboximidamide (CID 3008893) is 3-[(4-chlorophenyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methoxy]benzenecarboximidamide?
The canonical SMILES for 3-[(4-chlorophenyl)methoxy]benzenecarboximidamide is [H]/N=C(\N)c1cccc(OCc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)methoxy]benzenecarboximidamide?
The InChIKey is PRXYDZUZMSVJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c15-12-6-4-10(5-7-12)9-18-13-3-1-2-11(8-13)14(16)17/h1-8H,9H2,(H3,16,17).
What are the key properties of 3-[(4-chlorophenyl)methoxy]benzenecarboximidamide?
3-[(4-chlorophenyl)methoxy]benzenecarboximidamide has a molecular weight of 260.72 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 3008893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).