4-(N-anilino-C-methylcarbonimidoyl)benzene-1,3-diol

C14H14N2O2 — CID 3724998

IUPAC4-(N-anilino-C-methylcarbonimidoyl)benzene-1,3-diol
SMILESCC(=NNc1ccccc1)c1ccc(O)cc1O
InChIInChI=1S/C14H14N2O2/c1-10(13-8-7-12(17)9-14(13)18)15-16-11-5-3-2-4-6-11/h2-9,16-18H,1H3
InChIKeyPRASTCBVKOOZPU-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.93
Rot. Bonds3

About 4-(N-anilino-C-methylcarbonimidoyl)benzene-1,3-diol

4-(N-anilino-C-methylcarbonimidoyl)benzene-1,3-diol (PubChem CID 3724998) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-(N-anilino-C-methylcarbonimidoyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(N-anilino-C-methylcarbonimidoyl)benzene-1,3-diol
PubChem CID3724998
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name4-(N-anilino-C-methylcarbonimidoyl)benzene-1,3-diol
SMILESCC(=NNc1ccccc1)c1ccc(O)cc1O
InChIInChI=1S/C14H14N2O2/c1-10(13-8-7-12(17)9-14(13)18)15-16-11-5-3-2-4-6-11/h2-9,16-18H,1H3
InChIKeyPRASTCBVKOOZPU-UHFFFAOYSA-N
XLogP2.93
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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'}

Analyze 4-(N-anilino-C-methylcarbonimidoyl)benzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(N-anilino-C-methylcarbonimidoyl)benzene-1,3-diol?
The IUPAC name of 4-(N-anilino-C-methylcarbonimidoyl)benzene-1,3-diol (CID 3724998) is 4-(N-anilino-C-methylcarbonimidoyl)benzene-1,3-diol.
What is the SMILES notation for 4-(N-anilino-C-methylcarbonimidoyl)benzene-1,3-diol?
The canonical SMILES for 4-(N-anilino-C-methylcarbonimidoyl)benzene-1,3-diol is CC(=NNc1ccccc1)c1ccc(O)cc1O.
What is the InChIKey of 4-(N-anilino-C-methylcarbonimidoyl)benzene-1,3-diol?
The InChIKey is PRASTCBVKOOZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-10(13-8-7-12(17)9-14(13)18)15-16-11-5-3-2-4-6-11/h2-9,16-18H,1H3.
What are the key properties of 4-(N-anilino-C-methylcarbonimidoyl)benzene-1,3-diol?
4-(N-anilino-C-methylcarbonimidoyl)benzene-1,3-diol has a molecular weight of 242.28 g/mol, XLogP of 2.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-anilino-C-methylcarbonimidoyl)benzene-1,3-diol is sourced from PubChem (CID 3724998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).