(fluoren-9-ylideneamino) benzoate

C20H13NO2 — CID 3912985

IUPAC(fluoren-9-ylideneamino) benzoate
SMILESO=C(ON=C1c2ccccc2-c2ccccc21)c1ccccc1
InChIInChI=1S/C20H13NO2/c22-20(14-8-2-1-3-9-14)23-21-19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-13H
InChIKeySABWKOXDJONZHX-UHFFFAOYSA-N
MW299.33 g/mol
LogP4.28
Rot. Bonds2

About (fluoren-9-ylideneamino) benzoate

(fluoren-9-ylideneamino) benzoate (PubChem CID 3912985) has the molecular formula C20H13NO2 and a molecular weight of 299.33 g/mol. Its IUPAC name is (fluoren-9-ylideneamino) benzoate.

Molecular Properties

Compound Name(fluoren-9-ylideneamino) benzoate
PubChem CID3912985
Molecular FormulaC20H13NO2
Molecular Weight299.33 g/mol
Exact Mass299.09
IUPAC Name(fluoren-9-ylideneamino) benzoate
SMILESO=C(ON=C1c2ccccc2-c2ccccc21)c1ccccc1
InChIInChI=1S/C20H13NO2/c22-20(14-8-2-1-3-9-14)23-21-19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-13H
InChIKeySABWKOXDJONZHX-UHFFFAOYSA-N
XLogP4.28
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', '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 (fluoren-9-ylideneamino) benzoate?
The IUPAC name of (fluoren-9-ylideneamino) benzoate (CID 3912985) is (fluoren-9-ylideneamino) benzoate.
What is the SMILES notation for (fluoren-9-ylideneamino) benzoate?
The canonical SMILES for (fluoren-9-ylideneamino) benzoate is O=C(ON=C1c2ccccc2-c2ccccc21)c1ccccc1.
What is the InChIKey of (fluoren-9-ylideneamino) benzoate?
The InChIKey is SABWKOXDJONZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO2/c22-20(14-8-2-1-3-9-14)23-21-19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-13H.
What are the key properties of (fluoren-9-ylideneamino) benzoate?
(fluoren-9-ylideneamino) benzoate has a molecular weight of 299.33 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (fluoren-9-ylideneamino) benzoate is sourced from PubChem (CID 3912985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).