2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxy-3-propan-2-yloxyphenyl)ethanone

C17H17Cl2NO3 — CID 21187883

IUPAC2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxy-3-propan-2-yloxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)cc1OC(C)C
InChIInChI=1S/C17H17Cl2NO3/c1-10(2)23-17-6-11(4-5-16(17)22-3)15(21)7-12-13(18)8-20-9-14(12)19/h4-6,8-10H,7H2,1-3H3
InChIKeyNPXPYFAQZCLQSM-UHFFFAOYSA-N
MW354.23 g/mol
LogP4.61
Rot. Bonds6

About 2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxy-3-propan-2-yloxyphenyl)ethanone

2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxy-3-propan-2-yloxyphenyl)ethanone (PubChem CID 21187883) has the molecular formula C17H17Cl2NO3 and a molecular weight of 354.23 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxy-3-propan-2-yloxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxy-3-propan-2-yloxyphenyl)ethanone
PubChem CID21187883
Molecular FormulaC17H17Cl2NO3
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC Name2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxy-3-propan-2-yloxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)cc1OC(C)C
InChIInChI=1S/C17H17Cl2NO3/c1-10(2)23-17-6-11(4-5-16(17)22-3)15(21)7-12-13(18)8-20-9-14(12)19/h4-6,8-10H,7H2,1-3H3
InChIKeyNPXPYFAQZCLQSM-UHFFFAOYSA-N
XLogP4.61
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxy-3-propan-2-yloxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Roflumilast
CID 449193
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
[(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
3-(Bicyclo[2.2.1]hept-2-yloxy)-N-(3,5-dichloro-pyridin-4-yl)-4-methoxy-benzamide
CID 44292198
[(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

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxy-3-propan-2-yloxyphenyl)ethanone?
The IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxy-3-propan-2-yloxyphenyl)ethanone (CID 21187883) is 2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxy-3-propan-2-yloxyphenyl)ethanone.
What is the SMILES notation for 2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxy-3-propan-2-yloxyphenyl)ethanone?
The canonical SMILES for 2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxy-3-propan-2-yloxyphenyl)ethanone is COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)cc1OC(C)C.
What is the InChIKey of 2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxy-3-propan-2-yloxyphenyl)ethanone?
The InChIKey is NPXPYFAQZCLQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3/c1-10(2)23-17-6-11(4-5-16(17)22-3)15(21)7-12-13(18)8-20-9-14(12)19/h4-6,8-10H,7H2,1-3H3.
What are the key properties of 2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxy-3-propan-2-yloxyphenyl)ethanone?
2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxy-3-propan-2-yloxyphenyl)ethanone has a molecular weight of 354.23 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxy-3-propan-2-yloxyphenyl)ethanone is sourced from PubChem (CID 21187883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).