(4-chloro-1,3-dihydroisoindol-2-yl)-[3-methoxy-6-(trifluoromethyl)-2-pyridinyl]methanone

C16H12ClF3N2O2 — CID 171676144

IUPAC(4-chloro-1,3-dihydroisoindol-2-yl)-[3-methoxy-6-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCOc1ccc(C(F)(F)F)nc1C(=O)N1Cc2cccc(Cl)c2C1
InChIInChI=1S/C16H12ClF3N2O2/c1-24-12-5-6-13(16(18,19)20)21-14(12)15(23)22-7-9-3-2-4-11(17)10(9)8-22/h2-6H,7-8H2,1H3
InChIKeyGLLGFSLNVFFUSA-UHFFFAOYSA-N
MW356.73 g/mol
LogP3.92
Rot. Bonds2

About (4-chloro-1,3-dihydroisoindol-2-yl)-[3-methoxy-6-(trifluoromethyl)-2-pyridinyl]methanone

(4-chloro-1,3-dihydroisoindol-2-yl)-[3-methoxy-6-(trifluoromethyl)-2-pyridinyl]methanone (PubChem CID 171676144) has the molecular formula C16H12ClF3N2O2 and a molecular weight of 356.73 g/mol. Its IUPAC name is (4-chloro-1,3-dihydroisoindol-2-yl)-[3-methoxy-6-(trifluoromethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-chloro-1,3-dihydroisoindol-2-yl)-[3-methoxy-6-(trifluoromethyl)-2-pyridinyl]methanone
PubChem CID171676144
Molecular FormulaC16H12ClF3N2O2
Molecular Weight356.73 g/mol
Exact Mass356.05
IUPAC Name(4-chloro-1,3-dihydroisoindol-2-yl)-[3-methoxy-6-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCOc1ccc(C(F)(F)F)nc1C(=O)N1Cc2cccc(Cl)c2C1
InChIInChI=1S/C16H12ClF3N2O2/c1-24-12-5-6-13(16(18,19)20)21-14(12)15(23)22-7-9-3-2-4-11(17)10(9)8-22/h2-6H,7-8H2,1H3
InChIKeyGLLGFSLNVFFUSA-UHFFFAOYSA-N
XLogP3.92
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.73
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-chloro-1,3-dihydroisoindol-2-yl)-[3-methoxy-6-(trifluoromethyl)-2-pyridinyl]methanone with MolForge

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Related Compounds

[5-(aminomethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(4-fluoro-1,3-dihydroisoindol-2-yl)methanone
CID 70330057
1-(4-methoxy-1,3-dihydroisoindol-2-yl)ethanone
CID 20754713
4-chloro-2-prop-1-en-2-yl-1,3-dihydroisoindole
CID 55275495
1,1,1,3,3,3-hexafluoropropan-2-yl 4-methoxy-1,3-dihydroisoindole-2-carboxylate
CID 138619078
5-(4-chloro-1,3-dihydroisoindole-2-carbonyl)-2-hydroxybenzoic acid
CID 170966642
(4-bromo-1,3-dihydroisoindol-2-yl)-(2-chlorophenyl)methanone
CID 172876012
[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 86268209
1,4-diazacyclopentadeca-2,4,6,8,10,12,14-heptaen-2-yl 4-chloro-1,3-dihydroisoindole-2-carboxylate
CID 154486086
[5-chloro-6-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133450569
8-methoxy-2-(trifluoromethyl)quinoline-4-carbonyl chloride
CID 18002690
3-amino-1-(4-methoxy-1,3-dihydroisoindol-2-yl)-3-methylbutan-1-one
CID 23091965
2-(2,4-dichlorophenyl)-3-methoxy-6-(trifluoromethyl)pyridine
CID 118841877

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1,3-dihydroisoindol-2-yl)-[3-methoxy-6-(trifluoromethyl)-2-pyridinyl]methanone?
The IUPAC name of (4-chloro-1,3-dihydroisoindol-2-yl)-[3-methoxy-6-(trifluoromethyl)-2-pyridinyl]methanone (CID 171676144) is (4-chloro-1,3-dihydroisoindol-2-yl)-[3-methoxy-6-(trifluoromethyl)-2-pyridinyl]methanone.
What is the SMILES notation for (4-chloro-1,3-dihydroisoindol-2-yl)-[3-methoxy-6-(trifluoromethyl)-2-pyridinyl]methanone?
The canonical SMILES for (4-chloro-1,3-dihydroisoindol-2-yl)-[3-methoxy-6-(trifluoromethyl)-2-pyridinyl]methanone is COc1ccc(C(F)(F)F)nc1C(=O)N1Cc2cccc(Cl)c2C1.
What is the InChIKey of (4-chloro-1,3-dihydroisoindol-2-yl)-[3-methoxy-6-(trifluoromethyl)-2-pyridinyl]methanone?
The InChIKey is GLLGFSLNVFFUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N2O2/c1-24-12-5-6-13(16(18,19)20)21-14(12)15(23)22-7-9-3-2-4-11(17)10(9)8-22/h2-6H,7-8H2,1H3.
What are the key properties of (4-chloro-1,3-dihydroisoindol-2-yl)-[3-methoxy-6-(trifluoromethyl)-2-pyridinyl]methanone?
(4-chloro-1,3-dihydroisoindol-2-yl)-[3-methoxy-6-(trifluoromethyl)-2-pyridinyl]methanone has a molecular weight of 356.73 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1,3-dihydroisoindol-2-yl)-[3-methoxy-6-(trifluoromethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 171676144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).