2-[4-[1-(cyclopropanecarbonyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone

C24H23F2NO2 — CID 58110514

IUPAC2-[4-[1-(cyclopropanecarbonyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone
SMILESCC1=C(c2ccc(CC(=O)c3c(F)cccc3F)cc2)CN(C(=O)C2CC2)CC1
InChIInChI=1S/C24H23F2NO2/c1-15-11-12-27(24(29)18-9-10-18)14-19(15)17-7-5-16(6-8-17)13-22(28)23-20(25)3-2-4-21(23)26/h2-8,18H,9-14H2,1H3
InChIKeyDEDWFISTRUAQLE-UHFFFAOYSA-N
MW395.45 g/mol
LogP4.81
Rot. Bonds5

About 2-[4-[1-(cyclopropanecarbonyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone

2-[4-[1-(cyclopropanecarbonyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone (PubChem CID 58110514) has the molecular formula C24H23F2NO2 and a molecular weight of 395.45 g/mol. Its IUPAC name is 2-[4-[1-(cyclopropanecarbonyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-[4-[1-(cyclopropanecarbonyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone
PubChem CID58110514
Molecular FormulaC24H23F2NO2
Molecular Weight395.45 g/mol
Exact Mass395.17
IUPAC Name2-[4-[1-(cyclopropanecarbonyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone
SMILESCC1=C(c2ccc(CC(=O)c3c(F)cccc3F)cc2)CN(C(=O)C2CC2)CC1
InChIInChI=1S/C24H23F2NO2/c1-15-11-12-27(24(29)18-9-10-18)14-19(15)17-7-5-16(6-8-17)13-22(28)23-20(25)3-2-4-21(23)26/h2-8,18H,9-14H2,1H3
InChIKeyDEDWFISTRUAQLE-UHFFFAOYSA-N
XLogP4.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-2-[4-(4-methyl-1-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone
CID 58110522
1-(2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone
CID 61077688
2-chloro-N-[4-[4-chloro-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;2-[4-[4-chloro-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2-methylphenyl)ethanone;1-(2,6-difluorophenyl)-2-[4-[4-methyl-1-(2-propan-2-yltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;bis(2-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2-methylphenyl)ethanone)
CID 158852163
azepan-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene
CID 169240229
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 43009927
azetidin-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene;methanamine
CID 169240371
1-(2,6-difluorophenyl)-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone;dihydrochloride
CID 158177001
cyclopropyl-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
CID 113081215
cyclohexane;cyclopropyl(piperidin-1-yl)methanone;2-fluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 176579878
6-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-3,4-dimethyl-1,3-benzoxazol-2-one
CID 147728778
2-(4-chlorophenyl)-1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]ethanone
CID 33335069
7-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4,8-dimethyl-1,4-benzoxazin-3-one
CID 158642565

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(cyclopropanecarbonyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone?
The IUPAC name of 2-[4-[1-(cyclopropanecarbonyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone (CID 58110514) is 2-[4-[1-(cyclopropanecarbonyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone.
What is the SMILES notation for 2-[4-[1-(cyclopropanecarbonyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone?
The canonical SMILES for 2-[4-[1-(cyclopropanecarbonyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone is CC1=C(c2ccc(CC(=O)c3c(F)cccc3F)cc2)CN(C(=O)C2CC2)CC1.
What is the InChIKey of 2-[4-[1-(cyclopropanecarbonyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone?
The InChIKey is DEDWFISTRUAQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2NO2/c1-15-11-12-27(24(29)18-9-10-18)14-19(15)17-7-5-16(6-8-17)13-22(28)23-20(25)3-2-4-21(23)26/h2-8,18H,9-14H2,1H3.
What are the key properties of 2-[4-[1-(cyclopropanecarbonyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone?
2-[4-[1-(cyclopropanecarbonyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone has a molecular weight of 395.45 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(cyclopropanecarbonyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone is sourced from PubChem (CID 58110514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).