1-[(4R)-5-acetyl-4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-3,4-dihydropyridin-3-yl]ethanone

C18H19F2NO3 — CID 8000907

IUPAC1-[(4R)-5-acetyl-4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-3,4-dihydropyridin-3-yl]ethanone
SMILESCC(=O)C1=C(C)N=C(C)C(C(C)=O)[C@@H]1c1ccccc1OC(F)F
InChIInChI=1S/C18H19F2NO3/c1-9-15(11(3)22)17(16(12(4)23)10(2)21-9)13-7-5-6-8-14(13)24-18(19)20/h5-8,15,17-18H,1-4H3/t15?,17-/m0/s1
InChIKeyIGVCMEFWSAOOPV-LWKPJOBUSA-N
MW335.35 g/mol
LogP3.91
Rot. Bonds5

About 1-[(4R)-5-acetyl-4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-3,4-dihydropyridin-3-yl]ethanone

1-[(4R)-5-acetyl-4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-3,4-dihydropyridin-3-yl]ethanone (PubChem CID 8000907) has the molecular formula C18H19F2NO3 and a molecular weight of 335.35 g/mol. Its IUPAC name is 1-[(4R)-5-acetyl-4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-3,4-dihydropyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[(4R)-5-acetyl-4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-3,4-dihydropyridin-3-yl]ethanone
PubChem CID8000907
Molecular FormulaC18H19F2NO3
Molecular Weight335.35 g/mol
Exact Mass335.13
IUPAC Name1-[(4R)-5-acetyl-4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-3,4-dihydropyridin-3-yl]ethanone
SMILESCC(=O)C1=C(C)N=C(C)C(C(C)=O)[C@@H]1c1ccccc1OC(F)F
InChIInChI=1S/C18H19F2NO3/c1-9-15(11(3)22)17(16(12(4)23)10(2)21-9)13-7-5-6-8-14(13)24-18(19)20/h5-8,15,17-18H,1-4H3/t15?,17-/m0/s1
InChIKeyIGVCMEFWSAOOPV-LWKPJOBUSA-N
XLogP3.91
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-5-acetyl-4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-3,4-dihydropyridin-3-yl]ethanone?
The IUPAC name of 1-[(4R)-5-acetyl-4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-3,4-dihydropyridin-3-yl]ethanone (CID 8000907) is 1-[(4R)-5-acetyl-4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-3,4-dihydropyridin-3-yl]ethanone.
What is the SMILES notation for 1-[(4R)-5-acetyl-4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-3,4-dihydropyridin-3-yl]ethanone?
The canonical SMILES for 1-[(4R)-5-acetyl-4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-3,4-dihydropyridin-3-yl]ethanone is CC(=O)C1=C(C)N=C(C)C(C(C)=O)[C@@H]1c1ccccc1OC(F)F.
What is the InChIKey of 1-[(4R)-5-acetyl-4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-3,4-dihydropyridin-3-yl]ethanone?
The InChIKey is IGVCMEFWSAOOPV-LWKPJOBUSA-N. The full InChI is InChI=1S/C18H19F2NO3/c1-9-15(11(3)22)17(16(12(4)23)10(2)21-9)13-7-5-6-8-14(13)24-18(19)20/h5-8,15,17-18H,1-4H3/t15?,17-/m0/s1.
What are the key properties of 1-[(4R)-5-acetyl-4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-3,4-dihydropyridin-3-yl]ethanone?
1-[(4R)-5-acetyl-4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-3,4-dihydropyridin-3-yl]ethanone has a molecular weight of 335.35 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-5-acetyl-4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-3,4-dihydropyridin-3-yl]ethanone is sourced from PubChem (CID 8000907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).