2-chloro-N'-[3-(2-methoxyphenyl)phenyl]ethanimidamide

C15H15ClN2O — CID 169366388

IUPAC2-chloro-N'-[3-(2-methoxyphenyl)phenyl]ethanimidamide
SMILESCOc1ccccc1-c1cccc(/N=C(/N)CCl)c1
InChIInChI=1S/C15H15ClN2O/c1-19-14-8-3-2-7-13(14)11-5-4-6-12(9-11)18-15(17)10-16/h2-9H,10H2,1H3,(H2,17,18)
InChIKeyKLOAVRJFRHTCIN-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.59
Rot. Bonds4

About 2-chloro-N'-[3-(2-methoxyphenyl)phenyl]ethanimidamide

2-chloro-N'-[3-(2-methoxyphenyl)phenyl]ethanimidamide (PubChem CID 169366388) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-chloro-N'-[3-(2-methoxyphenyl)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[3-(2-methoxyphenyl)phenyl]ethanimidamide
PubChem CID169366388
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name2-chloro-N'-[3-(2-methoxyphenyl)phenyl]ethanimidamide
SMILESCOc1ccccc1-c1cccc(/N=C(/N)CCl)c1
InChIInChI=1S/C15H15ClN2O/c1-19-14-8-3-2-7-13(14)11-5-4-6-12(9-11)18-15(17)10-16/h2-9H,10H2,1H3,(H2,17,18)
InChIKeyKLOAVRJFRHTCIN-UHFFFAOYSA-N
XLogP3.59
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-[3-(2-methoxyphenyl)phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[3-(2-methoxyphenyl)phenyl]ethanimidamide (CID 169366388) is 2-chloro-N'-[3-(2-methoxyphenyl)phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[3-(2-methoxyphenyl)phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[3-(2-methoxyphenyl)phenyl]ethanimidamide is COc1ccccc1-c1cccc(/N=C(/N)CCl)c1.
What is the InChIKey of 2-chloro-N'-[3-(2-methoxyphenyl)phenyl]ethanimidamide?
The InChIKey is KLOAVRJFRHTCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-19-14-8-3-2-7-13(14)11-5-4-6-12(9-11)18-15(17)10-16/h2-9H,10H2,1H3,(H2,17,18).
What are the key properties of 2-chloro-N'-[3-(2-methoxyphenyl)phenyl]ethanimidamide?
2-chloro-N'-[3-(2-methoxyphenyl)phenyl]ethanimidamide has a molecular weight of 274.75 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[3-(2-methoxyphenyl)phenyl]ethanimidamide is sourced from PubChem (CID 169366388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).