2-chloro-N'-(4-cyclopropylphenyl)ethanimidamide

C11H13ClN2 — CID 169366596

IUPAC2-chloro-N'-(4-cyclopropylphenyl)ethanimidamide
SMILESN/C(CCl)=N/c1ccc(C2CC2)cc1
InChIInChI=1S/C11H13ClN2/c12-7-11(13)14-10-5-3-9(4-6-10)8-1-2-8/h3-6,8H,1-2,7H2,(H2,13,14)
InChIKeyLVXTUYZCFRCJHD-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.79
Rot. Bonds3

About 2-chloro-N'-(4-cyclopropylphenyl)ethanimidamide

2-chloro-N'-(4-cyclopropylphenyl)ethanimidamide (PubChem CID 169366596) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 2-chloro-N'-(4-cyclopropylphenyl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(4-cyclopropylphenyl)ethanimidamide
PubChem CID169366596
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name2-chloro-N'-(4-cyclopropylphenyl)ethanimidamide
SMILESN/C(CCl)=N/c1ccc(C2CC2)cc1
InChIInChI=1S/C11H13ClN2/c12-7-11(13)14-10-5-3-9(4-6-10)8-1-2-8/h3-6,8H,1-2,7H2,(H2,13,14)
InChIKeyLVXTUYZCFRCJHD-UHFFFAOYSA-N
XLogP2.79
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 2-chloro-N'-(4-cyclopropylphenyl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(4-cyclopropylphenyl)ethanimidamide (CID 169366596) is 2-chloro-N'-(4-cyclopropylphenyl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(4-cyclopropylphenyl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(4-cyclopropylphenyl)ethanimidamide is N/C(CCl)=N/c1ccc(C2CC2)cc1.
What is the InChIKey of 2-chloro-N'-(4-cyclopropylphenyl)ethanimidamide?
The InChIKey is LVXTUYZCFRCJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c12-7-11(13)14-10-5-3-9(4-6-10)8-1-2-8/h3-6,8H,1-2,7H2,(H2,13,14).
What are the key properties of 2-chloro-N'-(4-cyclopropylphenyl)ethanimidamide?
2-chloro-N'-(4-cyclopropylphenyl)ethanimidamide has a molecular weight of 208.69 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(4-cyclopropylphenyl)ethanimidamide is sourced from PubChem (CID 169366596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).