1-[4-acetyl-6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-7-methylnaphthalen-2-yl]ethanone

C22H17ClF3NO3 — CID 166849766

IUPAC1-[4-acetyl-6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-7-methylnaphthalen-2-yl]ethanone
SMILESCC(=O)c1cc(C(C)=O)c2cc(OCc3ncc(C(F)(F)F)cc3Cl)c(C)cc2c1
InChIInChI=1S/C22H17ClF3NO3/c1-11-4-15-5-14(12(2)28)6-17(13(3)29)18(15)8-21(11)30-10-20-19(23)7-16(9-27-20)22(24,25)26/h4-9H,10H2,1-3H3
InChIKeyZKGCFXVNMXVILA-UHFFFAOYSA-N
MW435.83 g/mol
LogP6.20
Rot. Bonds5

About 1-[4-acetyl-6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-7-methylnaphthalen-2-yl]ethanone

1-[4-acetyl-6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-7-methylnaphthalen-2-yl]ethanone (PubChem CID 166849766) has the molecular formula C22H17ClF3NO3 and a molecular weight of 435.83 g/mol. Its IUPAC name is 1-[4-acetyl-6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-7-methylnaphthalen-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-acetyl-6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-7-methylnaphthalen-2-yl]ethanone
PubChem CID166849766
Molecular FormulaC22H17ClF3NO3
Molecular Weight435.83 g/mol
Exact Mass435.08
IUPAC Name1-[4-acetyl-6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-7-methylnaphthalen-2-yl]ethanone
SMILESCC(=O)c1cc(C(C)=O)c2cc(OCc3ncc(C(F)(F)F)cc3Cl)c(C)cc2c1
InChIInChI=1S/C22H17ClF3NO3/c1-11-4-15-5-14(12(2)28)6-17(13(3)29)18(15)8-21(11)30-10-20-19(23)7-16(9-27-20)22(24,25)26/h4-9H,10H2,1-3H3
InChIKeyZKGCFXVNMXVILA-UHFFFAOYSA-N
XLogP6.20
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.83
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-acetyl-6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-7-methylnaphthalen-2-yl]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

methyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzoate
CID 75175960
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-2,5-dimethylbenzamide
CID 24888327
[1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]ethylideneamino]thiourea
CID 2746276
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-oxobutan-2-ylideneamino)acetamide
CID 4679895
1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]ethanone
CID 71627819
[(2R)-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methoxy-1-oxopropan-2-yl]azanium
CID 7097279
1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone
CID 2735828
3-chloro-5-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridine
CID 2780427
2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylpyridine-3-carboxamide
CID 22027361
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropylacetamide
CID 1491758
[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl] 4-methoxybenzoate
CID 1477319
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzoyl chloride
CID 15334422

Frequently Asked Questions

What is the IUPAC name of 1-[4-acetyl-6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-7-methylnaphthalen-2-yl]ethanone?
The IUPAC name of 1-[4-acetyl-6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-7-methylnaphthalen-2-yl]ethanone (CID 166849766) is 1-[4-acetyl-6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-7-methylnaphthalen-2-yl]ethanone.
What is the SMILES notation for 1-[4-acetyl-6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-7-methylnaphthalen-2-yl]ethanone?
The canonical SMILES for 1-[4-acetyl-6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-7-methylnaphthalen-2-yl]ethanone is CC(=O)c1cc(C(C)=O)c2cc(OCc3ncc(C(F)(F)F)cc3Cl)c(C)cc2c1.
What is the InChIKey of 1-[4-acetyl-6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-7-methylnaphthalen-2-yl]ethanone?
The InChIKey is ZKGCFXVNMXVILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF3NO3/c1-11-4-15-5-14(12(2)28)6-17(13(3)29)18(15)8-21(11)30-10-20-19(23)7-16(9-27-20)22(24,25)26/h4-9H,10H2,1-3H3.
What are the key properties of 1-[4-acetyl-6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-7-methylnaphthalen-2-yl]ethanone?
1-[4-acetyl-6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-7-methylnaphthalen-2-yl]ethanone has a molecular weight of 435.83 g/mol, XLogP of 6.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-acetyl-6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-7-methylnaphthalen-2-yl]ethanone is sourced from PubChem (CID 166849766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).