2-chloro-N-[[2-(4-chlorophenyl)phenyl]methyl]benzenecarboximidoyl chloride

C20H14Cl3N — CID 11740157

IUPAC2-chloro-N-[[2-(4-chlorophenyl)phenyl]methyl]benzenecarboximidoyl chloride
SMILESCl/C(=N\Cc1ccccc1-c1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C20H14Cl3N/c21-16-11-9-14(10-12-16)17-6-2-1-5-15(17)13-24-20(23)18-7-3-4-8-19(18)22/h1-12H,13H2/b24-20-
InChIKeyKGMFJWDYDWIIKJ-GFMRDNFCSA-N
MW374.70 g/mol
LogP6.85
Rot. Bonds4

About 2-chloro-N-[[2-(4-chlorophenyl)phenyl]methyl]benzenecarboximidoyl chloride

2-chloro-N-[[2-(4-chlorophenyl)phenyl]methyl]benzenecarboximidoyl chloride (PubChem CID 11740157) has the molecular formula C20H14Cl3N and a molecular weight of 374.70 g/mol. Its IUPAC name is 2-chloro-N-[[2-(4-chlorophenyl)phenyl]methyl]benzenecarboximidoyl chloride.

Molecular Properties

Compound Name2-chloro-N-[[2-(4-chlorophenyl)phenyl]methyl]benzenecarboximidoyl chloride
PubChem CID11740157
Molecular FormulaC20H14Cl3N
Molecular Weight374.70 g/mol
Exact Mass373.02
IUPAC Name2-chloro-N-[[2-(4-chlorophenyl)phenyl]methyl]benzenecarboximidoyl chloride
SMILESCl/C(=N\Cc1ccccc1-c1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C20H14Cl3N/c21-16-11-9-14(10-12-16)17-6-2-1-5-15(17)13-24-20(23)18-7-3-4-8-19(18)22/h1-12H,13H2/b24-20-
InChIKeyKGMFJWDYDWIIKJ-GFMRDNFCSA-N
XLogP6.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.70
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-(4-chlorophenyl)phenyl]methyl]benzenecarboximidoyl chloride?
The IUPAC name of 2-chloro-N-[[2-(4-chlorophenyl)phenyl]methyl]benzenecarboximidoyl chloride (CID 11740157) is 2-chloro-N-[[2-(4-chlorophenyl)phenyl]methyl]benzenecarboximidoyl chloride.
What is the SMILES notation for 2-chloro-N-[[2-(4-chlorophenyl)phenyl]methyl]benzenecarboximidoyl chloride?
The canonical SMILES for 2-chloro-N-[[2-(4-chlorophenyl)phenyl]methyl]benzenecarboximidoyl chloride is Cl/C(=N\Cc1ccccc1-c1ccc(Cl)cc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[[2-(4-chlorophenyl)phenyl]methyl]benzenecarboximidoyl chloride?
The InChIKey is KGMFJWDYDWIIKJ-GFMRDNFCSA-N. The full InChI is InChI=1S/C20H14Cl3N/c21-16-11-9-14(10-12-16)17-6-2-1-5-15(17)13-24-20(23)18-7-3-4-8-19(18)22/h1-12H,13H2/b24-20-.
What are the key properties of 2-chloro-N-[[2-(4-chlorophenyl)phenyl]methyl]benzenecarboximidoyl chloride?
2-chloro-N-[[2-(4-chlorophenyl)phenyl]methyl]benzenecarboximidoyl chloride has a molecular weight of 374.70 g/mol, XLogP of 6.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-(4-chlorophenyl)phenyl]methyl]benzenecarboximidoyl chloride is sourced from PubChem (CID 11740157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).