[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone

C19H18F4N2O — CID 166618895

IUPAC[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1ccc(CC2CCN(C(=O)c3cccnc3C(F)(F)F)C2)cc1F
InChIInChI=1S/C19H18F4N2O/c1-12-4-5-13(10-16(12)20)9-14-6-8-25(11-14)18(26)15-3-2-7-24-17(15)19(21,22)23/h2-5,7,10,14H,6,8-9,11H2,1H3
InChIKeyDEGZDFZTOJYMQR-UHFFFAOYSA-N
MW366.36 g/mol
LogP4.25
Rot. Bonds3

About [3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone

[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 166618895) has the molecular formula C19H18F4N2O and a molecular weight of 366.36 g/mol. Its IUPAC name is [3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID166618895
Molecular FormulaC19H18F4N2O
Molecular Weight366.36 g/mol
Exact Mass366.14
IUPAC Name[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1ccc(CC2CCN(C(=O)c3cccnc3C(F)(F)F)C2)cc1F
InChIInChI=1S/C19H18F4N2O/c1-12-4-5-13(10-16(12)20)9-14-6-8-25(11-14)18(26)15-3-2-7-24-17(15)19(21,22)23/h2-5,7,10,14H,6,8-9,11H2,1H3
InChIKeyDEGZDFZTOJYMQR-UHFFFAOYSA-N
XLogP4.25
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone 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

(2,6-dimethyl-4-pyridinyl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone
CID 166623325
(2,6-dimethoxyphenyl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone
CID 166618521
(2-ethylpyrazol-3-yl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone
CID 166616429
(1-ethylpyrazol-3-yl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone
CID 166619910
[3-(dimethylamino)phenyl]-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone
CID 166619219
(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone
CID 166620694
[3-[(3,4-difluorophenyl)methyl]pyrrolidin-1-yl]-(2,3-dihydroxyphenyl)methanone
CID 122139592
[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 171712163
3-[[(3S)-1-(2-methoxypyridine-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95727206
1-[4-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 166624366
(3-fluoro-2-pyridinyl)-[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]methanone
CID 166615059
[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 129346774

Frequently Asked Questions

What is the IUPAC name of [3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone (CID 166618895) is [3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone is Cc1ccc(CC2CCN(C(=O)c3cccnc3C(F)(F)F)C2)cc1F.
What is the InChIKey of [3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is DEGZDFZTOJYMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N2O/c1-12-4-5-13(10-16(12)20)9-14-6-8-25(11-14)18(26)15-3-2-7-24-17(15)19(21,22)23/h2-5,7,10,14H,6,8-9,11H2,1H3.
What are the key properties of [3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone?
[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 366.36 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 166618895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).