4-[(4-carbamimidoylphenyl)methoxy]-3-chlorobenzenecarboximidamide

C15H15ClN4O — CID 72950124

IUPAC4-[(4-carbamimidoylphenyl)methoxy]-3-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COc2ccc(/C(N)=N/[H])cc2Cl)cc1
InChIInChI=1S/C15H15ClN4O/c16-12-7-11(15(19)20)5-6-13(12)21-8-9-1-3-10(4-2-9)14(17)18/h1-7H,8H2,(H3,17,18)(H3,19,20)
InChIKeyZYJBQYZMEJCOIY-UHFFFAOYSA-N
MW302.77 g/mol
LogP2.49
Rot. Bonds5

About 4-[(4-carbamimidoylphenyl)methoxy]-3-chlorobenzenecarboximidamide

4-[(4-carbamimidoylphenyl)methoxy]-3-chlorobenzenecarboximidamide (PubChem CID 72950124) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is 4-[(4-carbamimidoylphenyl)methoxy]-3-chlorobenzenecarboximidamide.

Molecular Properties

Compound Name4-[(4-carbamimidoylphenyl)methoxy]-3-chlorobenzenecarboximidamide
PubChem CID72950124
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name4-[(4-carbamimidoylphenyl)methoxy]-3-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COc2ccc(/C(N)=N/[H])cc2Cl)cc1
InChIInChI=1S/C15H15ClN4O/c16-12-7-11(15(19)20)5-6-13(12)21-8-9-1-3-10(4-2-9)14(17)18/h1-7H,8H2,(H3,17,18)(H3,19,20)
InChIKeyZYJBQYZMEJCOIY-UHFFFAOYSA-N
XLogP2.49
TPSA108.97 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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 4-[(4-carbamimidoylphenyl)methoxy]-3-chlorobenzenecarboximidamide?
The IUPAC name of 4-[(4-carbamimidoylphenyl)methoxy]-3-chlorobenzenecarboximidamide (CID 72950124) is 4-[(4-carbamimidoylphenyl)methoxy]-3-chlorobenzenecarboximidamide.
What is the SMILES notation for 4-[(4-carbamimidoylphenyl)methoxy]-3-chlorobenzenecarboximidamide?
The canonical SMILES for 4-[(4-carbamimidoylphenyl)methoxy]-3-chlorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(COc2ccc(/C(N)=N/[H])cc2Cl)cc1.
What is the InChIKey of 4-[(4-carbamimidoylphenyl)methoxy]-3-chlorobenzenecarboximidamide?
The InChIKey is ZYJBQYZMEJCOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c16-12-7-11(15(19)20)5-6-13(12)21-8-9-1-3-10(4-2-9)14(17)18/h1-7H,8H2,(H3,17,18)(H3,19,20).
What are the key properties of 4-[(4-carbamimidoylphenyl)methoxy]-3-chlorobenzenecarboximidamide?
4-[(4-carbamimidoylphenyl)methoxy]-3-chlorobenzenecarboximidamide has a molecular weight of 302.77 g/mol, XLogP of 2.49, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-carbamimidoylphenyl)methoxy]-3-chlorobenzenecarboximidamide is sourced from PubChem (CID 72950124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).