N-(4-chlorophenyl)-N'-methylbut-2-enimidamide

C11H13ClN2 — CID 123435966

IUPACN-(4-chlorophenyl)-N'-methylbut-2-enimidamide
SMILESCC=C/C(=N\C)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2/c1-3-4-11(13-2)14-10-7-5-9(12)6-8-10/h3-8H,1-2H3,(H,13,14)
InChIKeyLDSNTTPOKHDHNJ-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.36
Rot. Bonds2

About N-(4-chlorophenyl)-N'-methylbut-2-enimidamide

N-(4-chlorophenyl)-N'-methylbut-2-enimidamide (PubChem CID 123435966) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N'-methylbut-2-enimidamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N'-methylbut-2-enimidamide
PubChem CID123435966
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC NameN-(4-chlorophenyl)-N'-methylbut-2-enimidamide
SMILESCC=C/C(=N\C)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2/c1-3-4-11(13-2)14-10-7-5-9(12)6-8-10/h3-8H,1-2H3,(H,13,14)
InChIKeyLDSNTTPOKHDHNJ-UHFFFAOYSA-N
XLogP3.36
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.36
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 N-(4-chlorophenyl)-N'-methylbut-2-enimidamide?
The IUPAC name of N-(4-chlorophenyl)-N'-methylbut-2-enimidamide (CID 123435966) is N-(4-chlorophenyl)-N'-methylbut-2-enimidamide.
What is the SMILES notation for N-(4-chlorophenyl)-N'-methylbut-2-enimidamide?
The canonical SMILES for N-(4-chlorophenyl)-N'-methylbut-2-enimidamide is CC=C/C(=N\C)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N'-methylbut-2-enimidamide?
The InChIKey is LDSNTTPOKHDHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-3-4-11(13-2)14-10-7-5-9(12)6-8-10/h3-8H,1-2H3,(H,13,14).
What are the key properties of N-(4-chlorophenyl)-N'-methylbut-2-enimidamide?
N-(4-chlorophenyl)-N'-methylbut-2-enimidamide has a molecular weight of 208.69 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N'-methylbut-2-enimidamide is sourced from PubChem (CID 123435966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).