9-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]fluorene-9-carboxamide

C22H18N2O3 — CID 6879872

IUPAC9-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]fluorene-9-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)C2(O)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C22H18N2O3/c1-27-16-12-10-15(11-13-16)14-23-24-21(25)22(26)19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-14,26H,1H3,(H,24,25)/b23-14+
InChIKeyNOQPGVNGJUHAKB-OEAKJJBVSA-N
MW358.40 g/mol
LogP3.06
Rot. Bonds4

About 9-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]fluorene-9-carboxamide

9-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]fluorene-9-carboxamide (PubChem CID 6879872) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 9-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]fluorene-9-carboxamide.

Molecular Properties

Compound Name9-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]fluorene-9-carboxamide
PubChem CID6879872
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name9-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]fluorene-9-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)C2(O)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C22H18N2O3/c1-27-16-12-10-15(11-13-16)14-23-24-21(25)22(26)19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-14,26H,1H3,(H,24,25)/b23-14+
InChIKeyNOQPGVNGJUHAKB-OEAKJJBVSA-N
XLogP3.06
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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)-(4-methoxyphenyl)methylideneamino]fluorene-9-carboxamide?
The IUPAC name of 9-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]fluorene-9-carboxamide (CID 6879872) is 9-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]fluorene-9-carboxamide.
What is the SMILES notation for 9-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]fluorene-9-carboxamide?
The canonical SMILES for 9-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]fluorene-9-carboxamide is COc1ccc(/C=N/NC(=O)C2(O)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]fluorene-9-carboxamide?
The InChIKey is NOQPGVNGJUHAKB-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-27-16-12-10-15(11-13-16)14-23-24-21(25)22(26)19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-14,26H,1H3,(H,24,25)/b23-14+.
What are the key properties of 9-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]fluorene-9-carboxamide?
9-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]fluorene-9-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]fluorene-9-carboxamide is sourced from PubChem (CID 6879872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).