2-chloro-N'-(4-cyclopropylnaphthalen-1-yl)ethanimidamide

C15H15ClN2 — CID 169365351

IUPAC2-chloro-N'-(4-cyclopropylnaphthalen-1-yl)ethanimidamide
SMILESN/C(CCl)=N/c1ccc(C2CC2)c2ccccc12
InChIInChI=1S/C15H15ClN2/c16-9-15(17)18-14-8-7-11(10-5-6-10)12-3-1-2-4-13(12)14/h1-4,7-8,10H,5-6,9H2,(H2,17,18)
InChIKeyWLYQNPYLELLSEO-UHFFFAOYSA-N
MW258.75 g/mol
LogP3.94
Rot. Bonds3

About 2-chloro-N'-(4-cyclopropylnaphthalen-1-yl)ethanimidamide

2-chloro-N'-(4-cyclopropylnaphthalen-1-yl)ethanimidamide (PubChem CID 169365351) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 2-chloro-N'-(4-cyclopropylnaphthalen-1-yl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(4-cyclopropylnaphthalen-1-yl)ethanimidamide
PubChem CID169365351
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name2-chloro-N'-(4-cyclopropylnaphthalen-1-yl)ethanimidamide
SMILESN/C(CCl)=N/c1ccc(C2CC2)c2ccccc12
InChIInChI=1S/C15H15ClN2/c16-9-15(17)18-14-8-7-11(10-5-6-10)12-3-1-2-4-13(12)14/h1-4,7-8,10H,5-6,9H2,(H2,17,18)
InChIKeyWLYQNPYLELLSEO-UHFFFAOYSA-N
XLogP3.94
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 53.94
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-cyclopropylnaphthalen-1-yl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(4-cyclopropylnaphthalen-1-yl)ethanimidamide (CID 169365351) is 2-chloro-N'-(4-cyclopropylnaphthalen-1-yl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(4-cyclopropylnaphthalen-1-yl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(4-cyclopropylnaphthalen-1-yl)ethanimidamide is N/C(CCl)=N/c1ccc(C2CC2)c2ccccc12.
What is the InChIKey of 2-chloro-N'-(4-cyclopropylnaphthalen-1-yl)ethanimidamide?
The InChIKey is WLYQNPYLELLSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2/c16-9-15(17)18-14-8-7-11(10-5-6-10)12-3-1-2-4-13(12)14/h1-4,7-8,10H,5-6,9H2,(H2,17,18).
What are the key properties of 2-chloro-N'-(4-cyclopropylnaphthalen-1-yl)ethanimidamide?
2-chloro-N'-(4-cyclopropylnaphthalen-1-yl)ethanimidamide has a molecular weight of 258.75 g/mol, XLogP of 3.94, 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-cyclopropylnaphthalen-1-yl)ethanimidamide is sourced from PubChem (CID 169365351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).