9-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]fluorene-9-carboxamide

C21H16N2O3 — CID 135498041

IUPAC9-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]fluorene-9-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)C1(O)c2ccccc2-c2ccccc21
InChIInChI=1S/C21H16N2O3/c24-19-12-6-1-7-14(19)13-22-23-20(25)21(26)17-10-4-2-8-15(17)16-9-3-5-11-18(16)21/h1-13,24,26H,(H,23,25)/b22-13+
InChIKeyRCCCTMMUPJMZLZ-LPYMAVHISA-N
MW344.37 g/mol
LogP2.76
Rot. Bonds3

About 9-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]fluorene-9-carboxamide

9-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]fluorene-9-carboxamide (PubChem CID 135498041) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is 9-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]fluorene-9-carboxamide.

Molecular Properties

Compound Name9-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]fluorene-9-carboxamide
PubChem CID135498041
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Name9-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]fluorene-9-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)C1(O)c2ccccc2-c2ccccc21
InChIInChI=1S/C21H16N2O3/c24-19-12-6-1-7-14(19)13-22-23-20(25)21(26)17-10-4-2-8-15(17)16-9-3-5-11-18(16)21/h1-13,24,26H,(H,23,25)/b22-13+
InChIKeyRCCCTMMUPJMZLZ-LPYMAVHISA-N
XLogP2.76
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 9-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]fluorene-9-carboxamide?
The IUPAC name of 9-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]fluorene-9-carboxamide (CID 135498041) is 9-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]fluorene-9-carboxamide.
What is the SMILES notation for 9-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]fluorene-9-carboxamide?
The canonical SMILES for 9-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]fluorene-9-carboxamide is O=C(N/N=C/c1ccccc1O)C1(O)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]fluorene-9-carboxamide?
The InChIKey is RCCCTMMUPJMZLZ-LPYMAVHISA-N. The full InChI is InChI=1S/C21H16N2O3/c24-19-12-6-1-7-14(19)13-22-23-20(25)21(26)17-10-4-2-8-15(17)16-9-3-5-11-18(16)21/h1-13,24,26H,(H,23,25)/b22-13+.
What are the key properties of 9-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]fluorene-9-carboxamide?
9-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]fluorene-9-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 2.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]fluorene-9-carboxamide is sourced from PubChem (CID 135498041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).