(Z)-N'-(3,4-dichlorophenyl)-2-methylbut-2-enimidamide

C11H12Cl2N2 — CID 5355729

IUPAC(Z)-N'-(3,4-dichlorophenyl)-2-methylbut-2-enimidamide
SMILESC/C=C(C)\C(N)=N\c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2N2/c1-3-7(2)11(14)15-8-4-5-9(12)10(13)6-8/h3-6H,1-2H3,(H2,14,15)/b7-3-
InChIKeyCEPZRGMGLKSKKE-CLTKARDFSA-N
MW243.14 g/mol
LogP3.95
Rot. Bonds2

About (Z)-N'-(3,4-dichlorophenyl)-2-methylbut-2-enimidamide

(Z)-N'-(3,4-dichlorophenyl)-2-methylbut-2-enimidamide (PubChem CID 5355729) has the molecular formula C11H12Cl2N2 and a molecular weight of 243.14 g/mol. Its IUPAC name is (Z)-N'-(3,4-dichlorophenyl)-2-methylbut-2-enimidamide.

Molecular Properties

Compound Name(Z)-N'-(3,4-dichlorophenyl)-2-methylbut-2-enimidamide
PubChem CID5355729
Molecular FormulaC11H12Cl2N2
Molecular Weight243.14 g/mol
Exact Mass242.04
IUPAC Name(Z)-N'-(3,4-dichlorophenyl)-2-methylbut-2-enimidamide
SMILESC/C=C(C)\C(N)=N\c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2N2/c1-3-7(2)11(14)15-8-4-5-9(12)10(13)6-8/h3-6H,1-2H3,(H2,14,15)/b7-3-
InChIKeyCEPZRGMGLKSKKE-CLTKARDFSA-N
XLogP3.95
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.95
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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Frequently Asked Questions

What is the IUPAC name of (Z)-N'-(3,4-dichlorophenyl)-2-methylbut-2-enimidamide?
The IUPAC name of (Z)-N'-(3,4-dichlorophenyl)-2-methylbut-2-enimidamide (CID 5355729) is (Z)-N'-(3,4-dichlorophenyl)-2-methylbut-2-enimidamide.
What is the SMILES notation for (Z)-N'-(3,4-dichlorophenyl)-2-methylbut-2-enimidamide?
The canonical SMILES for (Z)-N'-(3,4-dichlorophenyl)-2-methylbut-2-enimidamide is C/C=C(C)\C(N)=N\c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (Z)-N'-(3,4-dichlorophenyl)-2-methylbut-2-enimidamide?
The InChIKey is CEPZRGMGLKSKKE-CLTKARDFSA-N. The full InChI is InChI=1S/C11H12Cl2N2/c1-3-7(2)11(14)15-8-4-5-9(12)10(13)6-8/h3-6H,1-2H3,(H2,14,15)/b7-3-.
What are the key properties of (Z)-N'-(3,4-dichlorophenyl)-2-methylbut-2-enimidamide?
(Z)-N'-(3,4-dichlorophenyl)-2-methylbut-2-enimidamide has a molecular weight of 243.14 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-(3,4-dichlorophenyl)-2-methylbut-2-enimidamide is sourced from PubChem (CID 5355729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).