2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(1-methoxypropan-2-yloxy)phenyl]ethanone

C18H17Cl2F2NO4 — CID 23204780

IUPAC2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(1-methoxypropan-2-yloxy)phenyl]ethanone
SMILESCOCC(C)Oc1cc(C(=O)Cc2c(Cl)cncc2Cl)ccc1OC(F)F
InChIInChI=1S/C18H17Cl2F2NO4/c1-10(9-25-2)26-17-5-11(3-4-16(17)27-18(21)22)15(24)6-12-13(19)7-23-8-14(12)20/h3-5,7-8,10,18H,6,9H2,1-2H3
InChIKeyJWKFQRRHARMWOQ-UHFFFAOYSA-N
MW420.24 g/mol
LogP4.83
Rot. Bonds9

About 2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(1-methoxypropan-2-yloxy)phenyl]ethanone

2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(1-methoxypropan-2-yloxy)phenyl]ethanone (PubChem CID 23204780) has the molecular formula C18H17Cl2F2NO4 and a molecular weight of 420.24 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(1-methoxypropan-2-yloxy)phenyl]ethanone.

Molecular Properties

Compound Name2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(1-methoxypropan-2-yloxy)phenyl]ethanone
PubChem CID23204780
Molecular FormulaC18H17Cl2F2NO4
Molecular Weight420.24 g/mol
Exact Mass419.05
IUPAC Name2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(1-methoxypropan-2-yloxy)phenyl]ethanone
SMILESCOCC(C)Oc1cc(C(=O)Cc2c(Cl)cncc2Cl)ccc1OC(F)F
InChIInChI=1S/C18H17Cl2F2NO4/c1-10(9-25-2)26-17-5-11(3-4-16(17)27-18(21)22)15(24)6-12-13(19)7-23-8-14(12)20/h3-5,7-8,10,18H,6,9H2,1-2H3
InChIKeyJWKFQRRHARMWOQ-UHFFFAOYSA-N
XLogP4.83
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.24
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(1-methoxypropan-2-yloxy)phenyl]ethanone with MolForge

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Related Compounds

2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(3-hydroxycyclopentyl)oxyphenyl]ethanone
CID 57323256
3-[8-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2-(difluoromethoxy)phenoxy]-4-oxooctyl]sulfanyloxolan-2-one
CID 159932243
1-[3-butan-2-yloxy-4-(difluoromethoxy)phenyl]-3-methylbutan-1-one
CID 142284690
3-(1-bromopropoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide
CID 140646532
1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propan-1-one
CID 87567115
2-(3,5-dichloro-4-pyridinyl)-1-[3,4-dimethoxy-2-(3-methylbutoxy)phenyl]ethanone
CID 24960690
N-(3,5-difluoro-4-pyridinyl)-3-(1-methoxypropan-2-yloxy)-4-methylsulfanylbenzamide
CID 23204599
4-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2-methylsulfanylphenoxy]oxan-2-one
CID 67635915
methyl 3-[3-[5-[(3,5-dichloro-4-pyridinyl)carbamoyl]-2-(difluoromethoxy)phenoxy]propylsulfanyl]benzoate
CID 71262634
3,5-dichloro-4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxoethyl]-1H-pyridin-2-one
CID 118038859
3-chloro-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide
CID 77015882
sodium;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;hydroxide
CID 137440562

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(1-methoxypropan-2-yloxy)phenyl]ethanone?
The IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(1-methoxypropan-2-yloxy)phenyl]ethanone (CID 23204780) is 2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(1-methoxypropan-2-yloxy)phenyl]ethanone.
What is the SMILES notation for 2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(1-methoxypropan-2-yloxy)phenyl]ethanone?
The canonical SMILES for 2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(1-methoxypropan-2-yloxy)phenyl]ethanone is COCC(C)Oc1cc(C(=O)Cc2c(Cl)cncc2Cl)ccc1OC(F)F.
What is the InChIKey of 2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(1-methoxypropan-2-yloxy)phenyl]ethanone?
The InChIKey is JWKFQRRHARMWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2F2NO4/c1-10(9-25-2)26-17-5-11(3-4-16(17)27-18(21)22)15(24)6-12-13(19)7-23-8-14(12)20/h3-5,7-8,10,18H,6,9H2,1-2H3.
What are the key properties of 2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(1-methoxypropan-2-yloxy)phenyl]ethanone?
2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(1-methoxypropan-2-yloxy)phenyl]ethanone has a molecular weight of 420.24 g/mol, XLogP of 4.83, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(1-methoxypropan-2-yloxy)phenyl]ethanone is sourced from PubChem (CID 23204780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).