[1-(9H-fluoren-2-yl)ethylideneamino] 2-phenylacetate

C23H19NO2 — CID 76708620

IUPAC[1-(9H-fluoren-2-yl)ethylideneamino] 2-phenylacetate
SMILESCC(=NOC(=O)Cc1ccccc1)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C23H19NO2/c1-16(24-26-23(25)13-17-7-3-2-4-8-17)18-11-12-22-20(14-18)15-19-9-5-6-10-21(19)22/h2-12,14H,13,15H2,1H3
InChIKeyDMWIVXCAULXMSB-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.77
Rot. Bonds4

About [1-(9H-fluoren-2-yl)ethylideneamino] 2-phenylacetate

[1-(9H-fluoren-2-yl)ethylideneamino] 2-phenylacetate (PubChem CID 76708620) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is [1-(9H-fluoren-2-yl)ethylideneamino] 2-phenylacetate.

Molecular Properties

Compound Name[1-(9H-fluoren-2-yl)ethylideneamino] 2-phenylacetate
PubChem CID76708620
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name[1-(9H-fluoren-2-yl)ethylideneamino] 2-phenylacetate
SMILESCC(=NOC(=O)Cc1ccccc1)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C23H19NO2/c1-16(24-26-23(25)13-17-7-3-2-4-8-17)18-11-12-22-20(14-18)15-19-9-5-6-10-21(19)22/h2-12,14H,13,15H2,1H3
InChIKeyDMWIVXCAULXMSB-UHFFFAOYSA-N
XLogP4.77
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.77
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'}

Analyze [1-(9H-fluoren-2-yl)ethylideneamino] 2-phenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E)-1-naphthalen-2-ylethylideneamino] 2-phenylacetate
CID 88860851
[(E)-1-(9H-fluoren-2-yl)ethylideneamino] adamantane-2-carboxylate
CID 58226160
[(E)-1-(9H-fluoren-2-yl)ethylideneamino] naphthalene-2-carboximidate
CID 172922973
1-(9H-fluoren-2-yl)-3-phenylpropane-1,3-dione
CID 132527641
9H-fluorene-2-carboxamide;hydrochloride
CID 21224790
[(E)-[1-(9H-fluoren-2-yl)-1-oxooctan-2-ylidene]amino] acetate
CID 164786879
(Z)-1-(9H-fluoren-2-yl)-N-morpholin-4-ylethanimine
CID 167952207
[3-(9H-fluorene-2-carbonyl)phenyl]-(9H-fluoren-2-yl)methanone
CID 10552019
1-(9H-fluoren-2-yl)prop-1-en-1-ol
CID 141066359
acetic acid;azane;9H-fluorene
CID 174966259
9H-fluoren-2-yl-(4-phenylphenyl)methanone
CID 91678788
2-(4-acetamidophenyl)-N-(9H-fluoren-2-yl)acetamide
CID 30755196

Frequently Asked Questions

What is the IUPAC name of [1-(9H-fluoren-2-yl)ethylideneamino] 2-phenylacetate?
The IUPAC name of [1-(9H-fluoren-2-yl)ethylideneamino] 2-phenylacetate (CID 76708620) is [1-(9H-fluoren-2-yl)ethylideneamino] 2-phenylacetate.
What is the SMILES notation for [1-(9H-fluoren-2-yl)ethylideneamino] 2-phenylacetate?
The canonical SMILES for [1-(9H-fluoren-2-yl)ethylideneamino] 2-phenylacetate is CC(=NOC(=O)Cc1ccccc1)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of [1-(9H-fluoren-2-yl)ethylideneamino] 2-phenylacetate?
The InChIKey is DMWIVXCAULXMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c1-16(24-26-23(25)13-17-7-3-2-4-8-17)18-11-12-22-20(14-18)15-19-9-5-6-10-21(19)22/h2-12,14H,13,15H2,1H3.
What are the key properties of [1-(9H-fluoren-2-yl)ethylideneamino] 2-phenylacetate?
[1-(9H-fluoren-2-yl)ethylideneamino] 2-phenylacetate has a molecular weight of 341.41 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(9H-fluoren-2-yl)ethylideneamino] 2-phenylacetate is sourced from PubChem (CID 76708620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).