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

C14H11Cl3N2 — CID 20706422

IUPAC3,4-dichloro-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide
SMILESN/C(=N\Cc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl3N2/c15-11-3-1-2-9(6-11)8-19-14(18)10-4-5-12(16)13(17)7-10/h1-7H,8H2,(H2,18,19)
InChIKeyWBFUEKKZEAZFII-UHFFFAOYSA-N
MW313.62 g/mol
LogP4.55
Rot. Bonds3

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

3,4-dichloro-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide (PubChem CID 20706422) has the molecular formula C14H11Cl3N2 and a molecular weight of 313.62 g/mol. Its IUPAC name is 3,4-dichloro-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3,4-dichloro-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide
PubChem CID20706422
Molecular FormulaC14H11Cl3N2
Molecular Weight313.62 g/mol
Exact Mass312.00
IUPAC Name3,4-dichloro-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide
SMILESN/C(=N\Cc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl3N2/c15-11-3-1-2-9(6-11)8-19-14(18)10-4-5-12(16)13(17)7-10/h1-7H,8H2,(H2,18,19)
InChIKeyWBFUEKKZEAZFII-UHFFFAOYSA-N
XLogP4.55
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.62
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N'-[(3-chlorophenyl)methyl]-3-phenylprop-2-enimidamide
CID 9943369
(2E)-N-[(3,5-dichlorophenyl)methyl]-3-phenylprop-2-enimidamide
CID 9814984
(E)-N'-[(2,3-dichlorophenyl)methyl]-3-phenylprop-2-enimidamide
CID 9814985
(E)-N'-benzyl-3-(3-chlorophenyl)prop-2-enimidamide
CID 9878575
(E)-N'-[(4-chlorophenyl)methyl]-3-phenylprop-2-enimidamide
CID 9921582
(E)-N'-benzyl-3-(4-chlorophenyl)prop-2-enimidamide
CID 9921583
(E)-N'-[(2,5-dichlorophenyl)methyl]-3-phenylprop-2-enimidamide
CID 9966254
1-(Diaminomethylidene)-2-[(3,4-dichlorophenyl)methyl]guanidine
CID 11426470
2-Benzyl-5-(3,4-dichloro-phenyl)-2H-[1,2,4]triazole-3-thiol
CID 17903304
3-Chloro-N-(3-chloro-benzyl)-benzamidine
CID 20706430
4-Chloro-N-(3-chloro-benzyl)-benzamidine
CID 20706433
N-(3-Chloro-benzyl)-4-fluoro-benzamidine
CID 20706461

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide?
The IUPAC name of 3,4-dichloro-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide (CID 20706422) is 3,4-dichloro-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide.
What is the SMILES notation for 3,4-dichloro-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide?
The canonical SMILES for 3,4-dichloro-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide is N/C(=N\Cc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide?
The InChIKey is WBFUEKKZEAZFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2/c15-11-3-1-2-9(6-11)8-19-14(18)10-4-5-12(16)13(17)7-10/h1-7H,8H2,(H2,18,19).
What are the key properties of 3,4-dichloro-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide?
3,4-dichloro-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide has a molecular weight of 313.62 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide is sourced from PubChem (CID 20706422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).