(fluoren-9-ylideneamino) 4-chlorobenzoate

C20H12ClNO2 — CID 2244744

IUPAC(fluoren-9-ylideneamino) 4-chlorobenzoate
SMILESO=C(ON=C1c2ccccc2-c2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C20H12ClNO2/c21-14-11-9-13(10-12-14)20(23)24-22-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-12H
InChIKeyNZKCAHSFXNCKLS-UHFFFAOYSA-N
MW333.77 g/mol
LogP4.93
Rot. Bonds2

About (fluoren-9-ylideneamino) 4-chlorobenzoate

(fluoren-9-ylideneamino) 4-chlorobenzoate (PubChem CID 2244744) has the molecular formula C20H12ClNO2 and a molecular weight of 333.77 g/mol. Its IUPAC name is (fluoren-9-ylideneamino) 4-chlorobenzoate.

Molecular Properties

Compound Name(fluoren-9-ylideneamino) 4-chlorobenzoate
PubChem CID2244744
Molecular FormulaC20H12ClNO2
Molecular Weight333.77 g/mol
Exact Mass333.06
IUPAC Name(fluoren-9-ylideneamino) 4-chlorobenzoate
SMILESO=C(ON=C1c2ccccc2-c2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C20H12ClNO2/c21-14-11-9-13(10-12-14)20(23)24-22-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-12H
InChIKeyNZKCAHSFXNCKLS-UHFFFAOYSA-N
XLogP4.93
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 54.93
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) 4-chlorobenzoate?
The IUPAC name of (fluoren-9-ylideneamino) 4-chlorobenzoate (CID 2244744) is (fluoren-9-ylideneamino) 4-chlorobenzoate.
What is the SMILES notation for (fluoren-9-ylideneamino) 4-chlorobenzoate?
The canonical SMILES for (fluoren-9-ylideneamino) 4-chlorobenzoate is O=C(ON=C1c2ccccc2-c2ccccc21)c1ccc(Cl)cc1.
What is the InChIKey of (fluoren-9-ylideneamino) 4-chlorobenzoate?
The InChIKey is NZKCAHSFXNCKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClNO2/c21-14-11-9-13(10-12-14)20(23)24-22-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-12H.
What are the key properties of (fluoren-9-ylideneamino) 4-chlorobenzoate?
(fluoren-9-ylideneamino) 4-chlorobenzoate has a molecular weight of 333.77 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (fluoren-9-ylideneamino) 4-chlorobenzoate is sourced from PubChem (CID 2244744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).