4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one

C21H16F5NO2 — CID 122178642

IUPAC4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)cc(=O)n1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H16F5NO2/c1-13-8-18(29-12-15-4-7-17(22)9-19(15)23)10-20(28)27(13)11-14-2-5-16(6-3-14)21(24,25)26/h2-10H,11-12H2,1H3
InChIKeyQDHUCLNBPNOHIV-UHFFFAOYSA-N
MW409.35 g/mol
LogP5.08
Rot. Bonds5

About 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one

4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one (PubChem CID 122178642) has the molecular formula C21H16F5NO2 and a molecular weight of 409.35 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one
PubChem CID122178642
Molecular FormulaC21H16F5NO2
Molecular Weight409.35 g/mol
Exact Mass409.11
IUPAC Name4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)cc(=O)n1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H16F5NO2/c1-13-8-18(29-12-15-4-7-17(22)9-19(15)23)10-20(28)27(13)11-14-2-5-16(6-3-14)21(24,25)26/h2-10H,11-12H2,1H3
InChIKeyQDHUCLNBPNOHIV-UHFFFAOYSA-N
XLogP5.08
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.35
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one (CID 122178642) is 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The canonical SMILES for 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one is Cc1cc(OCc2ccc(F)cc2F)cc(=O)n1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The InChIKey is QDHUCLNBPNOHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F5NO2/c1-13-8-18(29-12-15-4-7-17(22)9-19(15)23)10-20(28)27(13)11-14-2-5-16(6-3-14)21(24,25)26/h2-10H,11-12H2,1H3.
What are the key properties of 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one has a molecular weight of 409.35 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 122178642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).