2-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-1-(3-methylphenyl)ethanone

C21H19FN2O — CID 58337531

IUPAC2-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)Cc2cc(F)cc(N(C)c3cccnc3)c2)c1
InChIInChI=1S/C21H19FN2O/c1-15-5-3-6-17(9-15)21(25)12-16-10-18(22)13-20(11-16)24(2)19-7-4-8-23-14-19/h3-11,13-14H,12H2,1-2H3
InChIKeySUYGNCTYWKVQPY-UHFFFAOYSA-N
MW334.39 g/mol
LogP4.72
Rot. Bonds5

About 2-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-1-(3-methylphenyl)ethanone

2-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-1-(3-methylphenyl)ethanone (PubChem CID 58337531) has the molecular formula C21H19FN2O and a molecular weight of 334.39 g/mol. Its IUPAC name is 2-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-1-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-1-(3-methylphenyl)ethanone
PubChem CID58337531
Molecular FormulaC21H19FN2O
Molecular Weight334.39 g/mol
Exact Mass334.15
IUPAC Name2-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)Cc2cc(F)cc(N(C)c3cccnc3)c2)c1
InChIInChI=1S/C21H19FN2O/c1-15-5-3-6-17(9-15)21(25)12-16-10-18(22)13-20(11-16)24(2)19-7-4-8-23-14-19/h3-11,13-14H,12H2,1-2H3
InChIKeySUYGNCTYWKVQPY-UHFFFAOYSA-N
XLogP4.72
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-1-(3-methylphenyl)ethanone 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-[2-chloro-5-[methyl(pyridin-3-yl)amino]phenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[3-[methyl(pyridin-3-yl)amino]phenyl]ethanone
CID 123874190
2-(3,5-difluorophenyl)-1-(3-methylphenyl)ethanone
CID 54959513
3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide
CID 123337602
2-(3-fluorophenyl)-1-pyridin-3-ylethanone
CID 60797988
1,1-dimethyl-3-(3-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 110360355
3-fluoro-N-methyl-5-(methylaminomethyl)-N-(3-methylphenyl)aniline
CID 106530942
N-(3-fluorophenyl)-N-methyl-2-pyridin-3-ylacetamide
CID 71916629
2-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone
CID 58091102
N-[3-[butyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-ethynylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide;3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;methane
CID 162258801
2-[(4-fluorophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
CID 62029617
1-(3,4-dimethylphenyl)-2-pyridin-3-ylethanone
CID 62548685
1-(3,4-difluorophenyl)-2-pyridin-3-ylethanone
CID 62800700

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-1-(3-methylphenyl)ethanone?
The IUPAC name of 2-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-1-(3-methylphenyl)ethanone (CID 58337531) is 2-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-1-(3-methylphenyl)ethanone.
What is the SMILES notation for 2-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-1-(3-methylphenyl)ethanone?
The canonical SMILES for 2-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-1-(3-methylphenyl)ethanone is Cc1cccc(C(=O)Cc2cc(F)cc(N(C)c3cccnc3)c2)c1.
What is the InChIKey of 2-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-1-(3-methylphenyl)ethanone?
The InChIKey is SUYGNCTYWKVQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O/c1-15-5-3-6-17(9-15)21(25)12-16-10-18(22)13-20(11-16)24(2)19-7-4-8-23-14-19/h3-11,13-14H,12H2,1-2H3.
What are the key properties of 2-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-1-(3-methylphenyl)ethanone?
2-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-1-(3-methylphenyl)ethanone has a molecular weight of 334.39 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-1-(3-methylphenyl)ethanone is sourced from PubChem (CID 58337531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).