2-[(E)-[(3,4-dichlorophenyl)-phenylmethylidene]amino]guanidine

C14H12Cl2N4 — CID 44542320

IUPAC2-[(E)-[(3,4-dichlorophenyl)-phenylmethylidene]amino]guanidine
SMILESNC(N)=N/N=C(\c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N4/c15-11-7-6-10(8-12(11)16)13(19-20-14(17)18)9-4-2-1-3-5-9/h1-8H,(H4,17,18,20)/b19-13+
InChIKeyVFGBIVIJQQKAFH-CPNJWEJPSA-N
MW307.18 g/mol
LogP3.02
Rot. Bonds3

About 2-[(E)-[(3,4-dichlorophenyl)-phenylmethylidene]amino]guanidine

2-[(E)-[(3,4-dichlorophenyl)-phenylmethylidene]amino]guanidine (PubChem CID 44542320) has the molecular formula C14H12Cl2N4 and a molecular weight of 307.18 g/mol. Its IUPAC name is 2-[(E)-[(3,4-dichlorophenyl)-phenylmethylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(E)-[(3,4-dichlorophenyl)-phenylmethylidene]amino]guanidine
PubChem CID44542320
Molecular FormulaC14H12Cl2N4
Molecular Weight307.18 g/mol
Exact Mass306.04
IUPAC Name2-[(E)-[(3,4-dichlorophenyl)-phenylmethylidene]amino]guanidine
SMILESNC(N)=N/N=C(\c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N4/c15-11-7-6-10(8-12(11)16)13(19-20-14(17)18)9-4-2-1-3-5-9/h1-8H,(H4,17,18,20)/b19-13+
InChIKeyVFGBIVIJQQKAFH-CPNJWEJPSA-N
XLogP3.02
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 53.02
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-Dichlorobenzylidene)hydrazinecarboximidamide
CID 9573348
2-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]guanidine
CID 9707420
2-[(E)-(3,4-dichlorophenyl)methylideneamino]guanidine;hydrochloride
CID 44542174
(Z)-(Cyano(2,3-dichlorophenyl)methylene)carbazamidine
CID 6366499
2-[(Z)-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]amino]guanidine
CID 5357086
(E)-(3,4-dichlorophenyl)(4-methylphenyl)methanone thiosemicarbazone
CID 44391871
(1E)-1-(3,4-dichlorophenyl)-3-phenylpropan-1-one thiosemicarbazone
CID 44391883
(1E,2E)-1-(3,4-dichlorophenyl)-3-phenylprop-2-en-1-one thiosemicarbazone
CID 44391906
(1E)-1-(3,4-dichlorophenyl)-2-phenylethan-1-one thiosemicarbazone
CID 44391915
2-[(Z)-[(E)-3-(4-chlorophenyl)-1-phenylprop-2-enylidene]amino]guanidine
CID 52947624
2-[(E)-1-(3-chlorophenyl)ethylideneamino]guanidine
CID 9707426
2-[(E)-1-(4-chlorophenyl)ethylideneamino]guanidine
CID 9573029

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(3,4-dichlorophenyl)-phenylmethylidene]amino]guanidine?
The IUPAC name of 2-[(E)-[(3,4-dichlorophenyl)-phenylmethylidene]amino]guanidine (CID 44542320) is 2-[(E)-[(3,4-dichlorophenyl)-phenylmethylidene]amino]guanidine.
What is the SMILES notation for 2-[(E)-[(3,4-dichlorophenyl)-phenylmethylidene]amino]guanidine?
The canonical SMILES for 2-[(E)-[(3,4-dichlorophenyl)-phenylmethylidene]amino]guanidine is NC(N)=N/N=C(\c1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(E)-[(3,4-dichlorophenyl)-phenylmethylidene]amino]guanidine?
The InChIKey is VFGBIVIJQQKAFH-CPNJWEJPSA-N. The full InChI is InChI=1S/C14H12Cl2N4/c15-11-7-6-10(8-12(11)16)13(19-20-14(17)18)9-4-2-1-3-5-9/h1-8H,(H4,17,18,20)/b19-13+.
What are the key properties of 2-[(E)-[(3,4-dichlorophenyl)-phenylmethylidene]amino]guanidine?
2-[(E)-[(3,4-dichlorophenyl)-phenylmethylidene]amino]guanidine has a molecular weight of 307.18 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(3,4-dichlorophenyl)-phenylmethylidene]amino]guanidine is sourced from PubChem (CID 44542320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).