[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-cyanobenzoate

C23H15NO3 — CID 29183065

IUPAC[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-cyanobenzoate
SMILESN#Cc1cccc(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)c1
InChIInChI=1S/C23H15NO3/c24-13-15-4-3-6-19(10-15)23(26)27-14-22(25)18-9-8-17-11-16-5-1-2-7-20(16)21(17)12-18/h1-10,12H,11,14H2
InChIKeyFNPGVHNGTLLXBB-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.17
Rot. Bonds4

About [2-(9H-fluoren-3-yl)-2-oxoethyl] 3-cyanobenzoate

[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-cyanobenzoate (PubChem CID 29183065) has the molecular formula C23H15NO3 and a molecular weight of 353.38 g/mol. Its IUPAC name is [2-(9H-fluoren-3-yl)-2-oxoethyl] 3-cyanobenzoate.

Molecular Properties

Compound Name[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-cyanobenzoate
PubChem CID29183065
Molecular FormulaC23H15NO3
Molecular Weight353.38 g/mol
Exact Mass353.11
IUPAC Name[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-cyanobenzoate
SMILESN#Cc1cccc(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)c1
InChIInChI=1S/C23H15NO3/c24-13-15-4-3-6-19(10-15)23(26)27-14-22(25)18-9-8-17-11-16-5-1-2-7-20(16)21(17)12-18/h1-10,12H,11,14H2
InChIKeyFNPGVHNGTLLXBB-UHFFFAOYSA-N
XLogP4.17
TPSA67.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(9H-fluoren-3-yl)-2-oxoethyl] 3-cyanobenzoate 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

[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-bromobenzoate
CID 7662912
[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7502110
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723570
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-methoxy-4-propoxybenzoate
CID 2095942
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7859801
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2445435
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 2438123
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 7825922
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 16523919
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-methyl-2-nitrobenzoate
CID 7233811
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489133
[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 16527565

Frequently Asked Questions

What is the IUPAC name of [2-(9H-fluoren-3-yl)-2-oxoethyl] 3-cyanobenzoate?
The IUPAC name of [2-(9H-fluoren-3-yl)-2-oxoethyl] 3-cyanobenzoate (CID 29183065) is [2-(9H-fluoren-3-yl)-2-oxoethyl] 3-cyanobenzoate.
What is the SMILES notation for [2-(9H-fluoren-3-yl)-2-oxoethyl] 3-cyanobenzoate?
The canonical SMILES for [2-(9H-fluoren-3-yl)-2-oxoethyl] 3-cyanobenzoate is N#Cc1cccc(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)c1.
What is the InChIKey of [2-(9H-fluoren-3-yl)-2-oxoethyl] 3-cyanobenzoate?
The InChIKey is FNPGVHNGTLLXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO3/c24-13-15-4-3-6-19(10-15)23(26)27-14-22(25)18-9-8-17-11-16-5-1-2-7-20(16)21(17)12-18/h1-10,12H,11,14H2.
What are the key properties of [2-(9H-fluoren-3-yl)-2-oxoethyl] 3-cyanobenzoate?
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-cyanobenzoate has a molecular weight of 353.38 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(9H-fluoren-3-yl)-2-oxoethyl] 3-cyanobenzoate is sourced from PubChem (CID 29183065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).