2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(3-hydroxycyclopentyl)oxyphenyl]ethanone

C19H17Cl2F2NO4 — CID 57323256

IUPAC2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(3-hydroxycyclopentyl)oxyphenyl]ethanone
SMILESO=C(Cc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OC2CCC(O)C2)c1
InChIInChI=1S/C19H17Cl2F2NO4/c20-14-8-24-9-15(21)13(14)7-16(26)10-1-4-17(28-19(22)23)18(5-10)27-12-3-2-11(25)6-12/h1,4-5,8-9,11-12,19,25H,2-3,6-7H2
InChIKeyBQKJWHWEZKXPNE-UHFFFAOYSA-N
MW432.25 g/mol
LogP4.71
Rot. Bonds7

About 2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(3-hydroxycyclopentyl)oxyphenyl]ethanone

2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(3-hydroxycyclopentyl)oxyphenyl]ethanone (PubChem CID 57323256) has the molecular formula C19H17Cl2F2NO4 and a molecular weight of 432.25 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(3-hydroxycyclopentyl)oxyphenyl]ethanone.

Molecular Properties

Compound Name2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(3-hydroxycyclopentyl)oxyphenyl]ethanone
PubChem CID57323256
Molecular FormulaC19H17Cl2F2NO4
Molecular Weight432.25 g/mol
Exact Mass431.05
IUPAC Name2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(3-hydroxycyclopentyl)oxyphenyl]ethanone
SMILESO=C(Cc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OC2CCC(O)C2)c1
InChIInChI=1S/C19H17Cl2F2NO4/c20-14-8-24-9-15(21)13(14)7-16(26)10-1-4-17(28-19(22)23)18(5-10)27-12-3-2-11(25)6-12/h1,4-5,8-9,11-12,19,25H,2-3,6-7H2
InChIKeyBQKJWHWEZKXPNE-UHFFFAOYSA-N
XLogP4.71
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.25
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(1-methoxypropan-2-yloxy)phenyl]ethanone
CID 23204780
3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide
CID 21187878
3-[8-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2-(difluoromethoxy)phenoxy]-4-oxooctyl]sulfanyloxolan-2-one
CID 159932243
4-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2-methylsulfanylphenoxy]oxan-2-one
CID 67635915
3,5-dichloro-4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxoethyl]-1H-pyridin-2-one
CID 118038859
sodium;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;hydroxide
CID 137440562
(1S)-1-[3-(cyclopropyloxymethyl)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethanol
CID 118033202
[1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethyl] 4-(cyclopropylmethoxy)-3-(hydroxymethyl)benzoate
CID 90205239
N-(3-chloro-5-iodo-4-pyridinyl)-3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzamide
CID 70344985
[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethyl] 4-aminobenzoate
CID 90192446
1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propan-1-one
CID 87567115
cis-(1S,3R)-3-[2-(3,5-dichloro-4-pyridinyl)-6-methoxycyclohexa-1,5-dien-1-yl]oxycyclopentan-1-ol
CID 173251135

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(3-hydroxycyclopentyl)oxyphenyl]ethanone?
The IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(3-hydroxycyclopentyl)oxyphenyl]ethanone (CID 57323256) is 2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(3-hydroxycyclopentyl)oxyphenyl]ethanone.
What is the SMILES notation for 2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(3-hydroxycyclopentyl)oxyphenyl]ethanone?
The canonical SMILES for 2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(3-hydroxycyclopentyl)oxyphenyl]ethanone is O=C(Cc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OC2CCC(O)C2)c1.
What is the InChIKey of 2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(3-hydroxycyclopentyl)oxyphenyl]ethanone?
The InChIKey is BQKJWHWEZKXPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2F2NO4/c20-14-8-24-9-15(21)13(14)7-16(26)10-1-4-17(28-19(22)23)18(5-10)27-12-3-2-11(25)6-12/h1,4-5,8-9,11-12,19,25H,2-3,6-7H2.
What are the key properties of 2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(3-hydroxycyclopentyl)oxyphenyl]ethanone?
2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(3-hydroxycyclopentyl)oxyphenyl]ethanone has a molecular weight of 432.25 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 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-(3-hydroxycyclopentyl)oxyphenyl]ethanone is sourced from PubChem (CID 57323256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).