3,4-dichloro-N'-[(3-methoxyphenyl)methyl]benzenecarboximidamide

C15H14Cl2N2O — CID 20706423

IUPAC3,4-dichloro-N'-[(3-methoxyphenyl)methyl]benzenecarboximidamide
SMILESCOc1cccc(C/N=C(\N)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H14Cl2N2O/c1-20-12-4-2-3-10(7-12)9-19-15(18)11-5-6-13(16)14(17)8-11/h2-8H,9H2,1H3,(H2,18,19)
InChIKeyXGRZIDQPKGBGML-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.91
Rot. Bonds4

About 3,4-dichloro-N'-[(3-methoxyphenyl)methyl]benzenecarboximidamide

3,4-dichloro-N'-[(3-methoxyphenyl)methyl]benzenecarboximidamide (PubChem CID 20706423) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 3,4-dichloro-N'-[(3-methoxyphenyl)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3,4-dichloro-N'-[(3-methoxyphenyl)methyl]benzenecarboximidamide
PubChem CID20706423
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name3,4-dichloro-N'-[(3-methoxyphenyl)methyl]benzenecarboximidamide
SMILESCOc1cccc(C/N=C(\N)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H14Cl2N2O/c1-20-12-4-2-3-10(7-12)9-19-15(18)11-5-6-13(16)14(17)8-11/h2-8H,9H2,1H3,(H2,18,19)
InChIKeyXGRZIDQPKGBGML-UHFFFAOYSA-N
XLogP3.91
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.91
H-Bond Donors ≤ 51
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-dichloro-N'-[(3-methoxyphenyl)methyl]benzenecarboximidamide?
The IUPAC name of 3,4-dichloro-N'-[(3-methoxyphenyl)methyl]benzenecarboximidamide (CID 20706423) is 3,4-dichloro-N'-[(3-methoxyphenyl)methyl]benzenecarboximidamide.
What is the SMILES notation for 3,4-dichloro-N'-[(3-methoxyphenyl)methyl]benzenecarboximidamide?
The canonical SMILES for 3,4-dichloro-N'-[(3-methoxyphenyl)methyl]benzenecarboximidamide is COc1cccc(C/N=C(\N)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3,4-dichloro-N'-[(3-methoxyphenyl)methyl]benzenecarboximidamide?
The InChIKey is XGRZIDQPKGBGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-20-12-4-2-3-10(7-12)9-19-15(18)11-5-6-13(16)14(17)8-11/h2-8H,9H2,1H3,(H2,18,19).
What are the key properties of 3,4-dichloro-N'-[(3-methoxyphenyl)methyl]benzenecarboximidamide?
3,4-dichloro-N'-[(3-methoxyphenyl)methyl]benzenecarboximidamide has a molecular weight of 309.20 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N'-[(3-methoxyphenyl)methyl]benzenecarboximidamide is sourced from PubChem (CID 20706423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).