2-[(Z)-N-anilino-C-methylcarbonimidoyl]-4,6-dichlorophenol

C14H12Cl2N2O — CID 135954534

IUPAC2-[(Z)-N-anilino-C-methylcarbonimidoyl]-4,6-dichlorophenol
SMILESC/C(=N/Nc1ccccc1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C14H12Cl2N2O/c1-9(17-18-11-5-3-2-4-6-11)12-7-10(15)8-13(16)14(12)19/h2-8,18-19H,1H3/b17-9-
InChIKeyNDRZMEMBKZRNMD-MFOYZWKCSA-N
MW295.17 g/mol
LogP4.54
Rot. Bonds3

About 2-[(Z)-N-anilino-C-methylcarbonimidoyl]-4,6-dichlorophenol

2-[(Z)-N-anilino-C-methylcarbonimidoyl]-4,6-dichlorophenol (PubChem CID 135954534) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is 2-[(Z)-N-anilino-C-methylcarbonimidoyl]-4,6-dichlorophenol.

Molecular Properties

Compound Name2-[(Z)-N-anilino-C-methylcarbonimidoyl]-4,6-dichlorophenol
PubChem CID135954534
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC Name2-[(Z)-N-anilino-C-methylcarbonimidoyl]-4,6-dichlorophenol
SMILESC/C(=N/Nc1ccccc1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C14H12Cl2N2O/c1-9(17-18-11-5-3-2-4-6-11)12-7-10(15)8-13(16)14(12)19/h2-8,18-19H,1H3/b17-9-
InChIKeyNDRZMEMBKZRNMD-MFOYZWKCSA-N
XLogP4.54
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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 2-[(Z)-N-anilino-C-methylcarbonimidoyl]-4,6-dichlorophenol?
The IUPAC name of 2-[(Z)-N-anilino-C-methylcarbonimidoyl]-4,6-dichlorophenol (CID 135954534) is 2-[(Z)-N-anilino-C-methylcarbonimidoyl]-4,6-dichlorophenol.
What is the SMILES notation for 2-[(Z)-N-anilino-C-methylcarbonimidoyl]-4,6-dichlorophenol?
The canonical SMILES for 2-[(Z)-N-anilino-C-methylcarbonimidoyl]-4,6-dichlorophenol is C/C(=N/Nc1ccccc1)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2-[(Z)-N-anilino-C-methylcarbonimidoyl]-4,6-dichlorophenol?
The InChIKey is NDRZMEMBKZRNMD-MFOYZWKCSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c1-9(17-18-11-5-3-2-4-6-11)12-7-10(15)8-13(16)14(12)19/h2-8,18-19H,1H3/b17-9-.
What are the key properties of 2-[(Z)-N-anilino-C-methylcarbonimidoyl]-4,6-dichlorophenol?
2-[(Z)-N-anilino-C-methylcarbonimidoyl]-4,6-dichlorophenol has a molecular weight of 295.17 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-N-anilino-C-methylcarbonimidoyl]-4,6-dichlorophenol is sourced from PubChem (CID 135954534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).