fluoro 2-(2-chlorophenyl)-5-phenyl-4-propanoylbenzoate

C22H16ClFO3 — CID 142540940

IUPACfluoro 2-(2-chlorophenyl)-5-phenyl-4-propanoylbenzoate
SMILESCCC(=O)c1cc(-c2ccccc2Cl)c(C(=O)OF)cc1-c1ccccc1
InChIInChI=1S/C22H16ClFO3/c1-2-21(25)18-13-17(15-10-6-7-11-20(15)23)19(22(26)27-24)12-16(18)14-8-4-3-5-9-14/h3-13H,2H2,1H3
InChIKeyWKQXFRBSYIODDN-UHFFFAOYSA-N
MW382.82 g/mol
LogP6.31
Rot. Bonds5

About fluoro 2-(2-chlorophenyl)-5-phenyl-4-propanoylbenzoate

fluoro 2-(2-chlorophenyl)-5-phenyl-4-propanoylbenzoate (PubChem CID 142540940) has the molecular formula C22H16ClFO3 and a molecular weight of 382.82 g/mol. Its IUPAC name is fluoro 2-(2-chlorophenyl)-5-phenyl-4-propanoylbenzoate.

Molecular Properties

Compound Namefluoro 2-(2-chlorophenyl)-5-phenyl-4-propanoylbenzoate
PubChem CID142540940
Molecular FormulaC22H16ClFO3
Molecular Weight382.82 g/mol
Exact Mass382.08
IUPAC Namefluoro 2-(2-chlorophenyl)-5-phenyl-4-propanoylbenzoate
SMILESCCC(=O)c1cc(-c2ccccc2Cl)c(C(=O)OF)cc1-c1ccccc1
InChIInChI=1S/C22H16ClFO3/c1-2-21(25)18-13-17(15-10-6-7-11-20(15)23)19(22(26)27-24)12-16(18)14-8-4-3-5-9-14/h3-13H,2H2,1H3
InChIKeyWKQXFRBSYIODDN-UHFFFAOYSA-N
XLogP6.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.82
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze fluoro 2-(2-chlorophenyl)-5-phenyl-4-propanoylbenzoate 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

Bms641
CID 22737393
4-[1-(3-Chloro-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-vinyl]-benzoic acid
CID 9799442
4-(3-Chloro-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalene-2-carbonyl)-benzoic acid
CID 9907433
4-[(5,6-Dihydro-5,5-dimethyl-8-(4-chlorophenyl)-2-naphthalenyl)ethynyl]benzoic Acid
CID 9931522
4-[4-(4-Chlorobenzoyl)benzoyl]benzoic acid
CID 10428890
4-[4-(2,4-Dichlorophenyl)benzoyl]benzoic acid
CID 11726674
methyl 4-[(E)-2-(3-chlorophenyl)ethenyl]-3-methylbenzoate
CID 44570943
4-[(E)-2-(3-Chloro-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-propenyl]-benzoic acid
CID 12112298
3-[1-(4-Chlorophenyl)-5-(4-fluorophenyl)-1,5-dioxopentan-3-yl]benzoic acid
CID 19926509
3-[1-(4-Chlorophenyl)-5-(4-methylphenyl)-1,5-dioxopentan-3-yl]benzoic acid
CID 19926515
1,1'-Biphenyl-4-carboxylic acid, 2'-chloro-, 1-methylethyl ester
CID 3068857
F 1893
CID 160722

Frequently Asked Questions

What is the IUPAC name of fluoro 2-(2-chlorophenyl)-5-phenyl-4-propanoylbenzoate?
The IUPAC name of fluoro 2-(2-chlorophenyl)-5-phenyl-4-propanoylbenzoate (CID 142540940) is fluoro 2-(2-chlorophenyl)-5-phenyl-4-propanoylbenzoate.
What is the SMILES notation for fluoro 2-(2-chlorophenyl)-5-phenyl-4-propanoylbenzoate?
The canonical SMILES for fluoro 2-(2-chlorophenyl)-5-phenyl-4-propanoylbenzoate is CCC(=O)c1cc(-c2ccccc2Cl)c(C(=O)OF)cc1-c1ccccc1.
What is the InChIKey of fluoro 2-(2-chlorophenyl)-5-phenyl-4-propanoylbenzoate?
The InChIKey is WKQXFRBSYIODDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFO3/c1-2-21(25)18-13-17(15-10-6-7-11-20(15)23)19(22(26)27-24)12-16(18)14-8-4-3-5-9-14/h3-13H,2H2,1H3.
What are the key properties of fluoro 2-(2-chlorophenyl)-5-phenyl-4-propanoylbenzoate?
fluoro 2-(2-chlorophenyl)-5-phenyl-4-propanoylbenzoate has a molecular weight of 382.82 g/mol, XLogP of 6.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-(2-chlorophenyl)-5-phenyl-4-propanoylbenzoate is sourced from PubChem (CID 142540940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).