N-[amino-(4-methoxyphenyl)methylidene]-N'-(1-chloroethenyl)carbamimidoyl chloride

C11H11Cl2N3O — CID 173482787

IUPACN-[amino-(4-methoxyphenyl)methylidene]-N'-(1-chloroethenyl)carbamimidoyl chloride
SMILESC=C(Cl)N=C(Cl)N=C(N)c1ccc(OC)cc1
InChIInChI=1S/C11H11Cl2N3O/c1-7(12)15-11(13)16-10(14)8-3-5-9(17-2)6-4-8/h3-6H,1H2,2H3,(H2,14,15,16)
InChIKeyUFZUHCBZAMGMDV-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.71
Rot. Bonds3

About N-[amino-(4-methoxyphenyl)methylidene]-N'-(1-chloroethenyl)carbamimidoyl chloride

N-[amino-(4-methoxyphenyl)methylidene]-N'-(1-chloroethenyl)carbamimidoyl chloride (PubChem CID 173482787) has the molecular formula C11H11Cl2N3O and a molecular weight of 272.14 g/mol. Its IUPAC name is N-[amino-(4-methoxyphenyl)methylidene]-N'-(1-chloroethenyl)carbamimidoyl chloride.

Molecular Properties

Compound NameN-[amino-(4-methoxyphenyl)methylidene]-N'-(1-chloroethenyl)carbamimidoyl chloride
PubChem CID173482787
Molecular FormulaC11H11Cl2N3O
Molecular Weight272.14 g/mol
Exact Mass271.03
IUPAC NameN-[amino-(4-methoxyphenyl)methylidene]-N'-(1-chloroethenyl)carbamimidoyl chloride
SMILESC=C(Cl)N=C(Cl)N=C(N)c1ccc(OC)cc1
InChIInChI=1S/C11H11Cl2N3O/c1-7(12)15-11(13)16-10(14)8-3-5-9(17-2)6-4-8/h3-6H,1H2,2H3,(H2,14,15,16)
InChIKeyUFZUHCBZAMGMDV-UHFFFAOYSA-N
XLogP2.71
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.71
H-Bond Donors ≤ 51
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': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N'-amino-4-methoxybenzenecarboximidamide
CID 54365169
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
2-[[amino-(4-methoxyphenyl)methylidene]carbamoylamino]acetyl chloride
CID 54305473
N'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide
CID 43188223
4-methoxy-N'-(methylamino)benzenecarboximidamide
CID 88906808
4-methoxy-N'-propan-2-ylbenzenecarboximidamide
CID 62048818
tert-butyl (NZ)-N-[amino-(4-methoxyphenyl)methylidene]carbamate
CID 82480855
actinium;1-(4-methoxyphenyl)ethenol
CID 22892785
4-methoxybenzenecarbohydrazonoyl chloride
CID 175972559
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino]urea
CID 23274048
4-methoxy-N'-(2-methylpropyl)benzenecarboximidamide
CID 15258622
N'-hydroxy-4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide
CID 43196897

Frequently Asked Questions

What is the IUPAC name of N-[amino-(4-methoxyphenyl)methylidene]-N'-(1-chloroethenyl)carbamimidoyl chloride?
The IUPAC name of N-[amino-(4-methoxyphenyl)methylidene]-N'-(1-chloroethenyl)carbamimidoyl chloride (CID 173482787) is N-[amino-(4-methoxyphenyl)methylidene]-N'-(1-chloroethenyl)carbamimidoyl chloride.
What is the SMILES notation for N-[amino-(4-methoxyphenyl)methylidene]-N'-(1-chloroethenyl)carbamimidoyl chloride?
The canonical SMILES for N-[amino-(4-methoxyphenyl)methylidene]-N'-(1-chloroethenyl)carbamimidoyl chloride is C=C(Cl)N=C(Cl)N=C(N)c1ccc(OC)cc1.
What is the InChIKey of N-[amino-(4-methoxyphenyl)methylidene]-N'-(1-chloroethenyl)carbamimidoyl chloride?
The InChIKey is UFZUHCBZAMGMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O/c1-7(12)15-11(13)16-10(14)8-3-5-9(17-2)6-4-8/h3-6H,1H2,2H3,(H2,14,15,16).
What are the key properties of N-[amino-(4-methoxyphenyl)methylidene]-N'-(1-chloroethenyl)carbamimidoyl chloride?
N-[amino-(4-methoxyphenyl)methylidene]-N'-(1-chloroethenyl)carbamimidoyl chloride has a molecular weight of 272.14 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-(4-methoxyphenyl)methylidene]-N'-(1-chloroethenyl)carbamimidoyl chloride is sourced from PubChem (CID 173482787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).