N-[[2-(4-chlorophenoxy)phenyl]iminomethyl]-N-methylcarbamoyl chloride;hydrochloride

C15H13Cl3N2O2 — CID 88812045

IUPACN-[[2-(4-chlorophenoxy)phenyl]iminomethyl]-N-methylcarbamoyl chloride;hydrochloride
SMILESCN(/C=N/c1ccccc1Oc1ccc(Cl)cc1)C(=O)Cl.Cl
InChIInChI=1S/C15H12Cl2N2O2.ClH/c1-19(15(17)20)10-18-13-4-2-3-5-14(13)21-12-8-6-11(16)7-9-12;/h2-10H,1H3;1H/b18-10+;
InChIKeySKOFRBLURLXWLS-DYMYMWKRSA-N
MW359.64 g/mol
LogP5.50
Rot. Bonds4

About N-[[2-(4-chlorophenoxy)phenyl]iminomethyl]-N-methylcarbamoyl chloride;hydrochloride

N-[[2-(4-chlorophenoxy)phenyl]iminomethyl]-N-methylcarbamoyl chloride;hydrochloride (PubChem CID 88812045) has the molecular formula C15H13Cl3N2O2 and a molecular weight of 359.64 g/mol. Its IUPAC name is N-[[2-(4-chlorophenoxy)phenyl]iminomethyl]-N-methylcarbamoyl chloride;hydrochloride.

Molecular Properties

Compound NameN-[[2-(4-chlorophenoxy)phenyl]iminomethyl]-N-methylcarbamoyl chloride;hydrochloride
PubChem CID88812045
Molecular FormulaC15H13Cl3N2O2
Molecular Weight359.64 g/mol
Exact Mass358.00
IUPAC NameN-[[2-(4-chlorophenoxy)phenyl]iminomethyl]-N-methylcarbamoyl chloride;hydrochloride
SMILESCN(/C=N/c1ccccc1Oc1ccc(Cl)cc1)C(=O)Cl.Cl
InChIInChI=1S/C15H12Cl2N2O2.ClH/c1-19(15(17)20)10-18-13-4-2-3-5-14(13)21-12-8-6-11(16)7-9-12;/h2-10H,1H3;1H/b18-10+;
InChIKeySKOFRBLURLXWLS-DYMYMWKRSA-N
XLogP5.50
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.64
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chlorophenoxy)phenyl]iminomethyl]-N-methylcarbamoyl chloride;hydrochloride?
The IUPAC name of N-[[2-(4-chlorophenoxy)phenyl]iminomethyl]-N-methylcarbamoyl chloride;hydrochloride (CID 88812045) is N-[[2-(4-chlorophenoxy)phenyl]iminomethyl]-N-methylcarbamoyl chloride;hydrochloride.
What is the SMILES notation for N-[[2-(4-chlorophenoxy)phenyl]iminomethyl]-N-methylcarbamoyl chloride;hydrochloride?
The canonical SMILES for N-[[2-(4-chlorophenoxy)phenyl]iminomethyl]-N-methylcarbamoyl chloride;hydrochloride is CN(/C=N/c1ccccc1Oc1ccc(Cl)cc1)C(=O)Cl.Cl.
What is the InChIKey of N-[[2-(4-chlorophenoxy)phenyl]iminomethyl]-N-methylcarbamoyl chloride;hydrochloride?
The InChIKey is SKOFRBLURLXWLS-DYMYMWKRSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2.ClH/c1-19(15(17)20)10-18-13-4-2-3-5-14(13)21-12-8-6-11(16)7-9-12;/h2-10H,1H3;1H/b18-10+;.
What are the key properties of N-[[2-(4-chlorophenoxy)phenyl]iminomethyl]-N-methylcarbamoyl chloride;hydrochloride?
N-[[2-(4-chlorophenoxy)phenyl]iminomethyl]-N-methylcarbamoyl chloride;hydrochloride has a molecular weight of 359.64 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chlorophenoxy)phenyl]iminomethyl]-N-methylcarbamoyl chloride;hydrochloride is sourced from PubChem (CID 88812045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).