(3-cyanophenyl)methyl 2-benzoylbenzoate

C22H15NO3 — CID 7764333

IUPAC(3-cyanophenyl)methyl 2-benzoylbenzoate
SMILESN#Cc1cccc(COC(=O)c2ccccc2C(=O)c2ccccc2)c1
InChIInChI=1S/C22H15NO3/c23-14-16-7-6-8-17(13-16)15-26-22(25)20-12-5-4-11-19(20)21(24)18-9-2-1-3-10-18/h1-13H,15H2
InChIKeyQSOQGUXRHSZVPA-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.15
Rot. Bonds5

About (3-cyanophenyl)methyl 2-benzoylbenzoate

(3-cyanophenyl)methyl 2-benzoylbenzoate (PubChem CID 7764333) has the molecular formula C22H15NO3 and a molecular weight of 341.37 g/mol. Its IUPAC name is (3-cyanophenyl)methyl 2-benzoylbenzoate.

Molecular Properties

Compound Name(3-cyanophenyl)methyl 2-benzoylbenzoate
PubChem CID7764333
Molecular FormulaC22H15NO3
Molecular Weight341.37 g/mol
Exact Mass341.11
IUPAC Name(3-cyanophenyl)methyl 2-benzoylbenzoate
SMILESN#Cc1cccc(COC(=O)c2ccccc2C(=O)c2ccccc2)c1
InChIInChI=1S/C22H15NO3/c23-14-16-7-6-8-17(13-16)15-26-22(25)20-12-5-4-11-19(20)21(24)18-9-2-1-3-10-18/h1-13H,15H2
InChIKeyQSOQGUXRHSZVPA-UHFFFAOYSA-N
XLogP4.15
TPSA67.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-cyanophenyl)methyl 2-benzoylbenzoate 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

(3-cyanophenyl)methyl 2-bromobenzoate
CID 7476786
(3-cyanophenyl)methyl 2,5-dimethylbenzoate
CID 8534932
(3-cyanophenyl)methyl 4-(4-hydroxyphenyl)benzoate
CID 7133515
(3-cyanophenyl)methyl 2-chloro-4,5-difluorobenzoate
CID 7382573
benzyl 2-(4-chlorobenzoyl)benzoate
CID 2375754
(3-cyanophenyl)methyl 4-propan-2-ylbenzoate
CID 7969143
(3-cyanophenyl)methyl 2-phenylpropanoate
CID 175581307
(4-nitrophenyl)methyl 2-benzoylbenzoate
CID 4601461
(3-cyanophenyl)methyl 4-amino-3-fluorobenzoate
CID 62682433
(3-cyanophenyl)methyl 3-(dimethylsulfamoyl)benzoate
CID 7960623
(3-cyanophenyl)methyl 2-benzyl-1,3-dioxoisoindole-5-carboxylate
CID 7738679
(3-cyanophenyl)methyl 2-phenoxypropanoate
CID 24671771

Frequently Asked Questions

What is the IUPAC name of (3-cyanophenyl)methyl 2-benzoylbenzoate?
The IUPAC name of (3-cyanophenyl)methyl 2-benzoylbenzoate (CID 7764333) is (3-cyanophenyl)methyl 2-benzoylbenzoate.
What is the SMILES notation for (3-cyanophenyl)methyl 2-benzoylbenzoate?
The canonical SMILES for (3-cyanophenyl)methyl 2-benzoylbenzoate is N#Cc1cccc(COC(=O)c2ccccc2C(=O)c2ccccc2)c1.
What is the InChIKey of (3-cyanophenyl)methyl 2-benzoylbenzoate?
The InChIKey is QSOQGUXRHSZVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO3/c23-14-16-7-6-8-17(13-16)15-26-22(25)20-12-5-4-11-19(20)21(24)18-9-2-1-3-10-18/h1-13H,15H2.
What are the key properties of (3-cyanophenyl)methyl 2-benzoylbenzoate?
(3-cyanophenyl)methyl 2-benzoylbenzoate has a molecular weight of 341.37 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyanophenyl)methyl 2-benzoylbenzoate is sourced from PubChem (CID 7764333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).