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

C19H19Cl2NO4 — CID 23204548

IUPAC2-(3,5-dichloro-4-pyridinyl)-1-[4-methoxy-3-(oxan-4-yloxy)phenyl]ethanone
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)cc1OC1CCOCC1
InChIInChI=1S/C19H19Cl2NO4/c1-24-18-3-2-12(8-19(18)26-13-4-6-25-7-5-13)17(23)9-14-15(20)10-22-11-16(14)21/h2-3,8,10-11,13H,4-7,9H2,1H3
InChIKeyVHCOMHOAIBILNW-UHFFFAOYSA-N
MW396.27 g/mol
LogP4.38
Rot. Bonds6

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

2-(3,5-dichloro-4-pyridinyl)-1-[4-methoxy-3-(oxan-4-yloxy)phenyl]ethanone (PubChem CID 23204548) has the molecular formula C19H19Cl2NO4 and a molecular weight of 396.27 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-pyridinyl)-1-[4-methoxy-3-(oxan-4-yloxy)phenyl]ethanone.

Molecular Properties

Compound Name2-(3,5-dichloro-4-pyridinyl)-1-[4-methoxy-3-(oxan-4-yloxy)phenyl]ethanone
PubChem CID23204548
Molecular FormulaC19H19Cl2NO4
Molecular Weight396.27 g/mol
Exact Mass395.07
IUPAC Name2-(3,5-dichloro-4-pyridinyl)-1-[4-methoxy-3-(oxan-4-yloxy)phenyl]ethanone
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)cc1OC1CCOCC1
InChIInChI=1S/C19H19Cl2NO4/c1-24-18-3-2-12(8-19(18)26-13-4-6-25-7-5-13)17(23)9-14-15(20)10-22-11-16(14)21/h2-3,8,10-11,13H,4-7,9H2,1H3
InChIKeyVHCOMHOAIBILNW-UHFFFAOYSA-N
XLogP4.38
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

Piclamilast
CID 154575
Leo-29102
CID 66829720
Pyriofenone
CID 23082663
1-({3-[2-(2,4-Dichlorophenyl)ethoxy]-4-methoxyphenyl}carbonyl)-4-(pyridin-4-ylmethyl)piperazine
CID 10185372
1-({3-[2-(2,4-Dichlorophenyl)ethoxy]-4-ethoxyphenyl}carbonyl)-4-(pyridin-4-ylmethyl)piperazine
CID 11752638
N-Benzyl-2-{6-[(3,5-Dichloropyridin-4-Yl)acetyl]-2,3-Dimethoxyphenoxy}acetamide
CID 66829828
[(Z)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloropyridin-4-yl)ethenyl] 3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoate
CID 76335878
3-Methoxy-4-(pyridin-4-ylmethoxy)benzaldehyde
CID 759793
[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] 3-(cyclopropylmethoxy)-4-methoxybenzoate
CID 76310476
[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] 3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoate
CID 76314126
[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] benzoate
CID 76321410
[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] 3-acetyloxy-4-methoxybenzoate
CID 76321411

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-[4-methoxy-3-(oxan-4-yloxy)phenyl]ethanone?
The IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-[4-methoxy-3-(oxan-4-yloxy)phenyl]ethanone (CID 23204548) is 2-(3,5-dichloro-4-pyridinyl)-1-[4-methoxy-3-(oxan-4-yloxy)phenyl]ethanone.
What is the SMILES notation for 2-(3,5-dichloro-4-pyridinyl)-1-[4-methoxy-3-(oxan-4-yloxy)phenyl]ethanone?
The canonical SMILES for 2-(3,5-dichloro-4-pyridinyl)-1-[4-methoxy-3-(oxan-4-yloxy)phenyl]ethanone is COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)cc1OC1CCOCC1.
What is the InChIKey of 2-(3,5-dichloro-4-pyridinyl)-1-[4-methoxy-3-(oxan-4-yloxy)phenyl]ethanone?
The InChIKey is VHCOMHOAIBILNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO4/c1-24-18-3-2-12(8-19(18)26-13-4-6-25-7-5-13)17(23)9-14-15(20)10-22-11-16(14)21/h2-3,8,10-11,13H,4-7,9H2,1H3.
What are the key properties of 2-(3,5-dichloro-4-pyridinyl)-1-[4-methoxy-3-(oxan-4-yloxy)phenyl]ethanone?
2-(3,5-dichloro-4-pyridinyl)-1-[4-methoxy-3-(oxan-4-yloxy)phenyl]ethanone has a molecular weight of 396.27 g/mol, XLogP of 4.38, 6 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-methoxy-3-(oxan-4-yloxy)phenyl]ethanone is sourced from PubChem (CID 23204548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).