4-[(Z)-N-[(2,6-dichlorophenyl)methylamino]-C-methylcarbonimidoyl]phenol

C15H14Cl2N2O — CID 136828832

IUPAC4-[(Z)-N-[(2,6-dichlorophenyl)methylamino]-C-methylcarbonimidoyl]phenol
SMILESC/C(=N/NCc1c(Cl)cccc1Cl)c1ccc(O)cc1
InChIInChI=1S/C15H14Cl2N2O/c1-10(11-5-7-12(20)8-6-11)19-18-9-13-14(16)3-2-4-15(13)17/h2-8,18,20H,9H2,1H3/b19-10-
InChIKeyJPVWJAZPWWEWLZ-GRSHGNNSSA-N
MW309.20 g/mol
LogP4.21
Rot. Bonds4

About 4-[(Z)-N-[(2,6-dichlorophenyl)methylamino]-C-methylcarbonimidoyl]phenol

4-[(Z)-N-[(2,6-dichlorophenyl)methylamino]-C-methylcarbonimidoyl]phenol (PubChem CID 136828832) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 4-[(Z)-N-[(2,6-dichlorophenyl)methylamino]-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name4-[(Z)-N-[(2,6-dichlorophenyl)methylamino]-C-methylcarbonimidoyl]phenol
PubChem CID136828832
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name4-[(Z)-N-[(2,6-dichlorophenyl)methylamino]-C-methylcarbonimidoyl]phenol
SMILESC/C(=N/NCc1c(Cl)cccc1Cl)c1ccc(O)cc1
InChIInChI=1S/C15H14Cl2N2O/c1-10(11-5-7-12(20)8-6-11)19-18-9-13-14(16)3-2-4-15(13)17/h2-8,18,20H,9H2,1H3/b19-10-
InChIKeyJPVWJAZPWWEWLZ-GRSHGNNSSA-N
XLogP4.21
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-N-[(2,6-dichlorophenyl)methylamino]-C-methylcarbonimidoyl]phenol?
The IUPAC name of 4-[(Z)-N-[(2,6-dichlorophenyl)methylamino]-C-methylcarbonimidoyl]phenol (CID 136828832) is 4-[(Z)-N-[(2,6-dichlorophenyl)methylamino]-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 4-[(Z)-N-[(2,6-dichlorophenyl)methylamino]-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 4-[(Z)-N-[(2,6-dichlorophenyl)methylamino]-C-methylcarbonimidoyl]phenol is C/C(=N/NCc1c(Cl)cccc1Cl)c1ccc(O)cc1.
What is the InChIKey of 4-[(Z)-N-[(2,6-dichlorophenyl)methylamino]-C-methylcarbonimidoyl]phenol?
The InChIKey is JPVWJAZPWWEWLZ-GRSHGNNSSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-10(11-5-7-12(20)8-6-11)19-18-9-13-14(16)3-2-4-15(13)17/h2-8,18,20H,9H2,1H3/b19-10-.
What are the key properties of 4-[(Z)-N-[(2,6-dichlorophenyl)methylamino]-C-methylcarbonimidoyl]phenol?
4-[(Z)-N-[(2,6-dichlorophenyl)methylamino]-C-methylcarbonimidoyl]phenol has a molecular weight of 309.20 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-N-[(2,6-dichlorophenyl)methylamino]-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 136828832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).