3-chloro-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide

C14H12Cl2N2 — CID 20706430

IUPAC3-chloro-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide
SMILESN/C(=N\Cc1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H12Cl2N2/c15-12-5-1-3-10(7-12)9-18-14(17)11-4-2-6-13(16)8-11/h1-8H,9H2,(H2,17,18)
InChIKeyWZRFJAWNOKIPAY-UHFFFAOYSA-N
MW279.17 g/mol
LogP3.90
Rot. Bonds3

About 3-chloro-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide

3-chloro-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide (PubChem CID 20706430) has the molecular formula C14H12Cl2N2 and a molecular weight of 279.17 g/mol. Its IUPAC name is 3-chloro-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide
PubChem CID20706430
Molecular FormulaC14H12Cl2N2
Molecular Weight279.17 g/mol
Exact Mass278.04
IUPAC Name3-chloro-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide
SMILESN/C(=N\Cc1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H12Cl2N2/c15-12-5-1-3-10(7-12)9-18-14(17)11-4-2-6-13(16)8-11/h1-8H,9H2,(H2,17,18)
InChIKeyWZRFJAWNOKIPAY-UHFFFAOYSA-N
XLogP3.90
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 53.90
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

4-Chlorobenzene-1-carboximidamide hydrochloride
CID 203436
(E)-N'-[(2-chlorophenyl)methyl]-3-phenylprop-2-enimidamide
CID 9900121
(E)-N'-[(3-chlorophenyl)methyl]-3-phenylprop-2-enimidamide
CID 9943369
Guanidine, (m-chlorobenzyl)-
CID 41357
(E)-N'-benzyl-3-(2-chlorophenyl)prop-2-enimidamide
CID 9814060
(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
2-[(2-Chlorophenyl)methyl]-1-(diaminomethylidene)guanidine
CID 11971703

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide?
The IUPAC name of 3-chloro-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide (CID 20706430) is 3-chloro-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide.
What is the SMILES notation for 3-chloro-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide?
The canonical SMILES for 3-chloro-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide is N/C(=N\Cc1cccc(Cl)c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide?
The InChIKey is WZRFJAWNOKIPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2/c15-12-5-1-3-10(7-12)9-18-14(17)11-4-2-6-13(16)8-11/h1-8H,9H2,(H2,17,18).
What are the key properties of 3-chloro-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide?
3-chloro-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide has a molecular weight of 279.17 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide is sourced from PubChem (CID 20706430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).