(1E)-1-[amino-(4-bromoanilino)methylidene]-2-[(3,4-dichlorophenyl)methyl]guanidine

C15H14BrCl2N5 — CID 15233170

IUPAC(1E)-1-[amino-(4-bromoanilino)methylidene]-2-[(3,4-dichlorophenyl)methyl]guanidine
SMILESNC(=N\Cc1ccc(Cl)c(Cl)c1)/N=C(\N)Nc1ccc(Br)cc1
InChIInChI=1S/C15H14BrCl2N5/c16-10-2-4-11(5-3-10)22-15(20)23-14(19)21-8-9-1-6-12(17)13(18)7-9/h1-7H,8H2,(H5,19,20,21,22,23)
InChIKeyXPUWFEIEROXXOR-UHFFFAOYSA-N
MW415.12 g/mol
LogP4.00
Rot. Bonds3

About (1E)-1-[amino-(4-bromoanilino)methylidene]-2-[(3,4-dichlorophenyl)methyl]guanidine

(1E)-1-[amino-(4-bromoanilino)methylidene]-2-[(3,4-dichlorophenyl)methyl]guanidine (PubChem CID 15233170) has the molecular formula C15H14BrCl2N5 and a molecular weight of 415.12 g/mol. Its IUPAC name is (1E)-1-[amino-(4-bromoanilino)methylidene]-2-[(3,4-dichlorophenyl)methyl]guanidine.

Molecular Properties

Compound Name(1E)-1-[amino-(4-bromoanilino)methylidene]-2-[(3,4-dichlorophenyl)methyl]guanidine
PubChem CID15233170
Molecular FormulaC15H14BrCl2N5
Molecular Weight415.12 g/mol
Exact Mass412.98
IUPAC Name(1E)-1-[amino-(4-bromoanilino)methylidene]-2-[(3,4-dichlorophenyl)methyl]guanidine
SMILESNC(=N\Cc1ccc(Cl)c(Cl)c1)/N=C(\N)Nc1ccc(Br)cc1
InChIInChI=1S/C15H14BrCl2N5/c16-10-2-4-11(5-3-10)22-15(20)23-14(19)21-8-9-1-6-12(17)13(18)7-9/h1-7H,8H2,(H5,19,20,21,22,23)
InChIKeyXPUWFEIEROXXOR-UHFFFAOYSA-N
XLogP4.00
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.12
LogP ≤ 54.00
H-Bond Donors ≤ 53
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

1-[amino-(1,3-benzodioxol-5-ylamino)methylidene]-2-[(3,4-dichlorophenyl)methyl]guanidine;hydrochloride
CID 158835764
(1E)-1-[amino-(4-chloroanilino)methylidene]-2-benzylguanidine
CID 24835744
1-[amino-(4-chloroanilino)methylidene]-2-[(2,4-dichlorophenyl)methyl]guanidine
CID 54323044
N-(4-bromophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 2598783
N'-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide
CID 142720621
2-[2-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]ethyl]-1-[amino-(4-chloroanilino)methylidene]guanidine
CID 70500438
2-[(4-bromophenyl)methyl]-1-(diaminomethylidene)guanidine;hydrochloride
CID 11971697
(1E)-1-[amino-(4-methylanilino)methylidene]-2-benzylguanidine
CID 11971695
(3,4-dichlorophenyl)methyl N-(4-bromophenyl)carbamodithioate
CID 3883798
2-[(4-bromophenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111753557
2-[(3-bromo-5-fluorophenyl)methyl]-1-(4-ethylphenyl)guanidine
CID 111076957
(1Z)-1-[amino-[4-(trifluoromethyl)anilino]methylidene]-2-benzylguanidine
CID 21492920

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[amino-(4-bromoanilino)methylidene]-2-[(3,4-dichlorophenyl)methyl]guanidine?
The IUPAC name of (1E)-1-[amino-(4-bromoanilino)methylidene]-2-[(3,4-dichlorophenyl)methyl]guanidine (CID 15233170) is (1E)-1-[amino-(4-bromoanilino)methylidene]-2-[(3,4-dichlorophenyl)methyl]guanidine.
What is the SMILES notation for (1E)-1-[amino-(4-bromoanilino)methylidene]-2-[(3,4-dichlorophenyl)methyl]guanidine?
The canonical SMILES for (1E)-1-[amino-(4-bromoanilino)methylidene]-2-[(3,4-dichlorophenyl)methyl]guanidine is NC(=N\Cc1ccc(Cl)c(Cl)c1)/N=C(\N)Nc1ccc(Br)cc1.
What is the InChIKey of (1E)-1-[amino-(4-bromoanilino)methylidene]-2-[(3,4-dichlorophenyl)methyl]guanidine?
The InChIKey is XPUWFEIEROXXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2N5/c16-10-2-4-11(5-3-10)22-15(20)23-14(19)21-8-9-1-6-12(17)13(18)7-9/h1-7H,8H2,(H5,19,20,21,22,23).
What are the key properties of (1E)-1-[amino-(4-bromoanilino)methylidene]-2-[(3,4-dichlorophenyl)methyl]guanidine?
(1E)-1-[amino-(4-bromoanilino)methylidene]-2-[(3,4-dichlorophenyl)methyl]guanidine has a molecular weight of 415.12 g/mol, XLogP of 4.00, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[amino-(4-bromoanilino)methylidene]-2-[(3,4-dichlorophenyl)methyl]guanidine is sourced from PubChem (CID 15233170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).