4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzenecarboximidamide

C15H15Cl2N3 — CID 63093863

IUPAC4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C15H15Cl2N3/c1-20(9-10-3-2-4-11(16)7-10)14-8-12(17)5-6-13(14)15(18)19/h2-8H,9H2,1H3,(H3,18,19)
InChIKeyCKZUVQSOTIPZEX-UHFFFAOYSA-N
MW308.21 g/mol
LogP3.91
Rot. Bonds4

About 4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzenecarboximidamide

4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzenecarboximidamide (PubChem CID 63093863) has the molecular formula C15H15Cl2N3 and a molecular weight of 308.21 g/mol. Its IUPAC name is 4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzenecarboximidamide
PubChem CID63093863
Molecular FormulaC15H15Cl2N3
Molecular Weight308.21 g/mol
Exact Mass307.06
IUPAC Name4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C15H15Cl2N3/c1-20(9-10-3-2-4-11(16)7-10)14-8-12(17)5-6-13(14)15(18)19/h2-8H,9H2,1H3,(H3,18,19)
InChIKeyCKZUVQSOTIPZEX-UHFFFAOYSA-N
XLogP3.91
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 53.91
H-Bond Donors ≤ 52
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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Related Compounds

4-chloro-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 65486843
4-bromo-2-[(3-bromophenyl)methyl-methylamino]benzenecarboximidamide
CID 114904462
4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzoic acid
CID 63513628
4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide
CID 55179840
4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
CID 63094373
4-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]benzenecarboximidamide
CID 63092842
5-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzenecarbothioamide
CID 63518374
4-chloro-2-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide
CID 107200134
2-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939000
2-[(3-chlorophenyl)methyl-methylamino]-4-methoxybenzenecarbothioamide
CID 81297786
4-chloro-2-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552195
3-chloro-1-N-[(3-chlorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 104834227

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzenecarboximidamide?
The IUPAC name of 4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzenecarboximidamide (CID 63093863) is 4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzenecarboximidamide?
The canonical SMILES for 4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1N(C)Cc1cccc(Cl)c1.
What is the InChIKey of 4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzenecarboximidamide?
The InChIKey is CKZUVQSOTIPZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3/c1-20(9-10-3-2-4-11(16)7-10)14-8-12(17)5-6-13(14)15(18)19/h2-8H,9H2,1H3,(H3,18,19).
What are the key properties of 4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzenecarboximidamide?
4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzenecarboximidamide has a molecular weight of 308.21 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzenecarboximidamide is sourced from PubChem (CID 63093863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).