2-chloro-N'-[4-(2-methylphenoxy)phenyl]ethanimidamide

C15H15ClN2O — CID 169369779

IUPAC2-chloro-N'-[4-(2-methylphenoxy)phenyl]ethanimidamide
SMILESCc1ccccc1Oc1ccc(/N=C(/N)CCl)cc1
InChIInChI=1S/C15H15ClN2O/c1-11-4-2-3-5-14(11)19-13-8-6-12(7-9-13)18-15(17)10-16/h2-9H,10H2,1H3,(H2,17,18)
InChIKeyYNBSHVDARRGUIL-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.01
Rot. Bonds4

About 2-chloro-N'-[4-(2-methylphenoxy)phenyl]ethanimidamide

2-chloro-N'-[4-(2-methylphenoxy)phenyl]ethanimidamide (PubChem CID 169369779) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-chloro-N'-[4-(2-methylphenoxy)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[4-(2-methylphenoxy)phenyl]ethanimidamide
PubChem CID169369779
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name2-chloro-N'-[4-(2-methylphenoxy)phenyl]ethanimidamide
SMILESCc1ccccc1Oc1ccc(/N=C(/N)CCl)cc1
InChIInChI=1S/C15H15ClN2O/c1-11-4-2-3-5-14(11)19-13-8-6-12(7-9-13)18-15(17)10-16/h2-9H,10H2,1H3,(H2,17,18)
InChIKeyYNBSHVDARRGUIL-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
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'-[4-(2-methylphenoxy)phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[4-(2-methylphenoxy)phenyl]ethanimidamide (CID 169369779) is 2-chloro-N'-[4-(2-methylphenoxy)phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[4-(2-methylphenoxy)phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[4-(2-methylphenoxy)phenyl]ethanimidamide is Cc1ccccc1Oc1ccc(/N=C(/N)CCl)cc1.
What is the InChIKey of 2-chloro-N'-[4-(2-methylphenoxy)phenyl]ethanimidamide?
The InChIKey is YNBSHVDARRGUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-11-4-2-3-5-14(11)19-13-8-6-12(7-9-13)18-15(17)10-16/h2-9H,10H2,1H3,(H2,17,18).
What are the key properties of 2-chloro-N'-[4-(2-methylphenoxy)phenyl]ethanimidamide?
2-chloro-N'-[4-(2-methylphenoxy)phenyl]ethanimidamide has a molecular weight of 274.75 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[4-(2-methylphenoxy)phenyl]ethanimidamide is sourced from PubChem (CID 169369779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).