N-[(E)-(4-ethoxyphenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide

C23H20N2O3 — CID 6184696

IUPACN-[(E)-(4-ethoxyphenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide
SMILESCCOc1ccc(/C=N/NC(=O)C2(O)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C23H20N2O3/c1-2-28-17-13-11-16(12-14-17)15-24-25-22(26)23(27)20-9-5-3-7-18(20)19-8-4-6-10-21(19)23/h3-15,27H,2H2,1H3,(H,25,26)/b24-15+
InChIKeyVLZQJBMQHZZCTR-BUVRLJJBSA-N
MW372.42 g/mol
LogP3.45
Rot. Bonds5

About N-[(E)-(4-ethoxyphenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide

N-[(E)-(4-ethoxyphenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide (PubChem CID 6184696) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[(E)-(4-ethoxyphenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-ethoxyphenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide
PubChem CID6184696
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC NameN-[(E)-(4-ethoxyphenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide
SMILESCCOc1ccc(/C=N/NC(=O)C2(O)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C23H20N2O3/c1-2-28-17-13-11-16(12-14-17)15-24-25-22(26)23(27)20-9-5-3-7-18(20)19-8-4-6-10-21(19)23/h3-15,27H,2H2,1H3,(H,25,26)/b24-15+
InChIKeyVLZQJBMQHZZCTR-BUVRLJJBSA-N
XLogP3.45
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.45
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 N-[(E)-(4-ethoxyphenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide?
The IUPAC name of N-[(E)-(4-ethoxyphenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide (CID 6184696) is N-[(E)-(4-ethoxyphenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide.
What is the SMILES notation for N-[(E)-(4-ethoxyphenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide?
The canonical SMILES for N-[(E)-(4-ethoxyphenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide is CCOc1ccc(/C=N/NC(=O)C2(O)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-[(E)-(4-ethoxyphenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide?
The InChIKey is VLZQJBMQHZZCTR-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-2-28-17-13-11-16(12-14-17)15-24-25-22(26)23(27)20-9-5-3-7-18(20)19-8-4-6-10-21(19)23/h3-15,27H,2H2,1H3,(H,25,26)/b24-15+.
What are the key properties of N-[(E)-(4-ethoxyphenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide?
N-[(E)-(4-ethoxyphenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide has a molecular weight of 372.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-ethoxyphenyl)methylideneamino]-9-hydroxyfluorene-9-carboxamide is sourced from PubChem (CID 6184696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).