3-(2,4-difluorophenyl)-1-(2-methyl-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one

C22H16F5NO — CID 66666448

IUPAC3-(2,4-difluorophenyl)-1-(2-methyl-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESCc1cc(C(=O)CC(c2ccc(C(F)(F)F)cc2)c2ccc(F)cc2F)ccn1
InChIInChI=1S/C22H16F5NO/c1-13-10-15(8-9-28-13)21(29)12-19(18-7-6-17(23)11-20(18)24)14-2-4-16(5-3-14)22(25,26)27/h2-11,19H,12H2,1H3
InChIKeyQEFCBCSVXWPKCR-UHFFFAOYSA-N
MW405.37 g/mol
LogP6.09
Rot. Bonds5

About 3-(2,4-difluorophenyl)-1-(2-methyl-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one

3-(2,4-difluorophenyl)-1-(2-methyl-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 66666448) has the molecular formula C22H16F5NO and a molecular weight of 405.37 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-1-(2-methyl-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-1-(2-methyl-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
PubChem CID66666448
Molecular FormulaC22H16F5NO
Molecular Weight405.37 g/mol
Exact Mass405.12
IUPAC Name3-(2,4-difluorophenyl)-1-(2-methyl-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESCc1cc(C(=O)CC(c2ccc(C(F)(F)F)cc2)c2ccc(F)cc2F)ccn1
InChIInChI=1S/C22H16F5NO/c1-13-10-15(8-9-28-13)21(29)12-19(18-7-6-17(23)11-20(18)24)14-2-4-16(5-3-14)22(25,26)27/h2-11,19H,12H2,1H3
InChIKeyQEFCBCSVXWPKCR-UHFFFAOYSA-N
XLogP6.09
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.37
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2,4-difluorophenyl)-1-(2-methyl-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one 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

4-Benzoylpyridine
CID 26731
2-Benzoylpyridine
CID 7038
(4-Fluorophenyl)(pyridin-4-yl)methanone
CID 7023019
N-(4'-fluorobutyrophenone)-4-(4-chlorophenyl)pyridinium
CID 9975463
N-(3,5-bis(trifluoromethyl)benzyl)-N,7-dimethyl-8-oxo-5-p-tolyl-7,8-dihydro-1,7-naphthyridine-6-carboxamide
CID 9871754
naphthalen-1-yl(1-pentyl-5-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methanone
CID 44418368
2-Phenyl-1-(pyridin-2-yl)ethan-1-one
CID 256073
1-Phenyl-2-(4-pyridinyl)ethanone
CID 287104
N-(4-tert-butylphenyl)-4-(pyridin-2-yl)benzamide
CID 11472986
Aminopyridine N-oxide, 46
CID 24745785
Aminopyridine N-oxide, 48
CID 24745955
2-Acetyl-4-isopropylpyridine
CID 529345

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-1-(2-methyl-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 3-(2,4-difluorophenyl)-1-(2-methyl-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one (CID 66666448) is 3-(2,4-difluorophenyl)-1-(2-methyl-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 3-(2,4-difluorophenyl)-1-(2-methyl-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 3-(2,4-difluorophenyl)-1-(2-methyl-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one is Cc1cc(C(=O)CC(c2ccc(C(F)(F)F)cc2)c2ccc(F)cc2F)ccn1.
What is the InChIKey of 3-(2,4-difluorophenyl)-1-(2-methyl-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is QEFCBCSVXWPKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F5NO/c1-13-10-15(8-9-28-13)21(29)12-19(18-7-6-17(23)11-20(18)24)14-2-4-16(5-3-14)22(25,26)27/h2-11,19H,12H2,1H3.
What are the key properties of 3-(2,4-difluorophenyl)-1-(2-methyl-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
3-(2,4-difluorophenyl)-1-(2-methyl-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 405.37 g/mol, XLogP of 6.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-1-(2-methyl-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 66666448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).