2-[(E)-N-anilino-C-phenylcarbonimidoyl]benzene-1,4-diol

C19H16N2O2 — CID 135490855

IUPAC2-[(E)-N-anilino-C-phenylcarbonimidoyl]benzene-1,4-diol
SMILESOc1ccc(O)c(/C(=N/Nc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C19H16N2O2/c22-16-11-12-18(23)17(13-16)19(14-7-3-1-4-8-14)21-20-15-9-5-2-6-10-15/h1-13,20,22-23H/b21-19+
InChIKeyNJPPCOOYWVRVAN-XUTLUUPISA-N
MW304.35 g/mol
LogP3.96
Rot. Bonds4

About 2-[(E)-N-anilino-C-phenylcarbonimidoyl]benzene-1,4-diol

2-[(E)-N-anilino-C-phenylcarbonimidoyl]benzene-1,4-diol (PubChem CID 135490855) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[(E)-N-anilino-C-phenylcarbonimidoyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[(E)-N-anilino-C-phenylcarbonimidoyl]benzene-1,4-diol
PubChem CID135490855
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name2-[(E)-N-anilino-C-phenylcarbonimidoyl]benzene-1,4-diol
SMILESOc1ccc(O)c(/C(=N/Nc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C19H16N2O2/c22-16-11-12-18(23)17(13-16)19(14-7-3-1-4-8-14)21-20-15-9-5-2-6-10-15/h1-13,20,22-23H/b21-19+
InChIKeyNJPPCOOYWVRVAN-XUTLUUPISA-N
XLogP3.96
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', '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-[(E)-N-anilino-C-phenylcarbonimidoyl]benzene-1,4-diol?
The IUPAC name of 2-[(E)-N-anilino-C-phenylcarbonimidoyl]benzene-1,4-diol (CID 135490855) is 2-[(E)-N-anilino-C-phenylcarbonimidoyl]benzene-1,4-diol.
What is the SMILES notation for 2-[(E)-N-anilino-C-phenylcarbonimidoyl]benzene-1,4-diol?
The canonical SMILES for 2-[(E)-N-anilino-C-phenylcarbonimidoyl]benzene-1,4-diol is Oc1ccc(O)c(/C(=N/Nc2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-[(E)-N-anilino-C-phenylcarbonimidoyl]benzene-1,4-diol?
The InChIKey is NJPPCOOYWVRVAN-XUTLUUPISA-N. The full InChI is InChI=1S/C19H16N2O2/c22-16-11-12-18(23)17(13-16)19(14-7-3-1-4-8-14)21-20-15-9-5-2-6-10-15/h1-13,20,22-23H/b21-19+.
What are the key properties of 2-[(E)-N-anilino-C-phenylcarbonimidoyl]benzene-1,4-diol?
2-[(E)-N-anilino-C-phenylcarbonimidoyl]benzene-1,4-diol has a molecular weight of 304.35 g/mol, XLogP of 3.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-N-anilino-C-phenylcarbonimidoyl]benzene-1,4-diol is sourced from PubChem (CID 135490855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).