1-[4-(4-benzoylphenyl)-3-fluorophenyl]cyclopropane-1-carbonitrile

C23H16FNO — CID 69075333

IUPAC1-[4-(4-benzoylphenyl)-3-fluorophenyl]cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc(-c3ccc(C(=O)c4ccccc4)cc3)c(F)c2)CC1
InChIInChI=1S/C23H16FNO/c24-21-14-19(23(15-25)12-13-23)10-11-20(21)16-6-8-18(9-7-16)22(26)17-4-2-1-3-5-17/h1-11,14H,12-13H2
InChIKeyNEYHRXHBMLAKEB-UHFFFAOYSA-N
MW341.39 g/mol
LogP5.28
Rot. Bonds4

About 1-[4-(4-benzoylphenyl)-3-fluorophenyl]cyclopropane-1-carbonitrile

1-[4-(4-benzoylphenyl)-3-fluorophenyl]cyclopropane-1-carbonitrile (PubChem CID 69075333) has the molecular formula C23H16FNO and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-[4-(4-benzoylphenyl)-3-fluorophenyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-(4-benzoylphenyl)-3-fluorophenyl]cyclopropane-1-carbonitrile
PubChem CID69075333
Molecular FormulaC23H16FNO
Molecular Weight341.39 g/mol
Exact Mass341.12
IUPAC Name1-[4-(4-benzoylphenyl)-3-fluorophenyl]cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc(-c3ccc(C(=O)c4ccccc4)cc3)c(F)c2)CC1
InChIInChI=1S/C23H16FNO/c24-21-14-19(23(15-25)12-13-23)10-11-20(21)16-6-8-18(9-7-16)22(26)17-4-2-1-3-5-17/h1-11,14H,12-13H2
InChIKeyNEYHRXHBMLAKEB-UHFFFAOYSA-N
XLogP5.28
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.39
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-(4-benzoylphenyl)-3-fluorophenyl]cyclopropane-1-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-benzoylphenyl)-3-fluorophenyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[4-(4-benzoylphenyl)-3-fluorophenyl]cyclopropane-1-carbonitrile (CID 69075333) is 1-[4-(4-benzoylphenyl)-3-fluorophenyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[4-(4-benzoylphenyl)-3-fluorophenyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[4-(4-benzoylphenyl)-3-fluorophenyl]cyclopropane-1-carbonitrile is N#CC1(c2ccc(-c3ccc(C(=O)c4ccccc4)cc3)c(F)c2)CC1.
What is the InChIKey of 1-[4-(4-benzoylphenyl)-3-fluorophenyl]cyclopropane-1-carbonitrile?
The InChIKey is NEYHRXHBMLAKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FNO/c24-21-14-19(23(15-25)12-13-23)10-11-20(21)16-6-8-18(9-7-16)22(26)17-4-2-1-3-5-17/h1-11,14H,12-13H2.
What are the key properties of 1-[4-(4-benzoylphenyl)-3-fluorophenyl]cyclopropane-1-carbonitrile?
1-[4-(4-benzoylphenyl)-3-fluorophenyl]cyclopropane-1-carbonitrile has a molecular weight of 341.39 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-benzoylphenyl)-3-fluorophenyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 69075333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).