3,5-dichloro-4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxoethyl]-1H-pyridin-2-one

C18H15Cl2F2NO4 — CID 118038859

IUPAC3,5-dichloro-4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxoethyl]-1H-pyridin-2-one
SMILESO=C(Cc1c(Cl)c[nH]c(=O)c1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
InChIInChI=1S/C18H15Cl2F2NO4/c19-12-7-23-17(25)16(20)11(12)6-13(24)10-3-4-14(27-18(21)22)15(5-10)26-8-9-1-2-9/h3-5,7,9,18H,1-2,6,8H2,(H,23,25)
InChIKeyMASZTOPBTFKNGB-UHFFFAOYSA-N
MW418.22 g/mol
LogP4.50
Rot. Bonds8

About 3,5-dichloro-4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxoethyl]-1H-pyridin-2-one

3,5-dichloro-4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxoethyl]-1H-pyridin-2-one (PubChem CID 118038859) has the molecular formula C18H15Cl2F2NO4 and a molecular weight of 418.22 g/mol. Its IUPAC name is 3,5-dichloro-4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxoethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3,5-dichloro-4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxoethyl]-1H-pyridin-2-one
PubChem CID118038859
Molecular FormulaC18H15Cl2F2NO4
Molecular Weight418.22 g/mol
Exact Mass417.03
IUPAC Name3,5-dichloro-4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxoethyl]-1H-pyridin-2-one
SMILESO=C(Cc1c(Cl)c[nH]c(=O)c1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
InChIInChI=1S/C18H15Cl2F2NO4/c19-12-7-23-17(25)16(20)11(12)6-13(24)10-3-4-14(27-18(21)22)15(5-10)26-8-9-1-2-9/h3-5,7,9,18H,1-2,6,8H2,(H,23,25)
InChIKeyMASZTOPBTFKNGB-UHFFFAOYSA-N
XLogP4.50
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.22
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]acetate
CID 175497729
sodium;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;hydroxide
CID 137440562
2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(3-hydroxycyclopentyl)oxyphenyl]ethanone
CID 57323256
N-(3-chloro-5-iodo-4-pyridinyl)-3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzamide
CID 70344985
3-(cyclopropylmethoxy)-4-(difluoromethoxy)-N-[(3S)-6-oxopiperidin-3-yl]benzamide
CID 10473302
[1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-2-oxo-1H-pyridin-4-yl)ethyl] 3-[[[2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-(4-fluorophenyl)-2-oxoethyl]amino]methyl]benzoate
CID 134280229
4-(difluoromethoxy)-3-[(2,2,3,3-tetradeuteriocyclopropyl)methoxy]benzoic acid
CID 71315100
[1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethyl] 4-(cyclopropylmethoxy)-3-(hydroxymethyl)benzoate
CID 90205239
[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethyl] 4-aminobenzoate
CID 90192446
1-(cyclopropylmethoxy)-2-(difluoromethoxy)benzene
CID 54215709
3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]benzoic acid
CID 175575580
[1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethyl] propanoate
CID 71174216

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxoethyl]-1H-pyridin-2-one?
The IUPAC name of 3,5-dichloro-4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxoethyl]-1H-pyridin-2-one (CID 118038859) is 3,5-dichloro-4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxoethyl]-1H-pyridin-2-one.
What is the SMILES notation for 3,5-dichloro-4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxoethyl]-1H-pyridin-2-one?
The canonical SMILES for 3,5-dichloro-4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxoethyl]-1H-pyridin-2-one is O=C(Cc1c(Cl)c[nH]c(=O)c1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1.
What is the InChIKey of 3,5-dichloro-4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxoethyl]-1H-pyridin-2-one?
The InChIKey is MASZTOPBTFKNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2F2NO4/c19-12-7-23-17(25)16(20)11(12)6-13(24)10-3-4-14(27-18(21)22)15(5-10)26-8-9-1-2-9/h3-5,7,9,18H,1-2,6,8H2,(H,23,25).
What are the key properties of 3,5-dichloro-4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxoethyl]-1H-pyridin-2-one?
3,5-dichloro-4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxoethyl]-1H-pyridin-2-one has a molecular weight of 418.22 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxoethyl]-1H-pyridin-2-one is sourced from PubChem (CID 118038859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).