N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-propan-2-yloxybenzamide

C16H16Cl2N2O3 — CID 21187872

IUPACN-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-propan-2-yloxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC(C)C
InChIInChI=1S/C16H16Cl2N2O3/c1-9(2)23-14-6-10(4-5-13(14)22-3)16(21)20-15-11(17)7-19-8-12(15)18/h4-9H,1-3H3,(H,19,20,21)
InChIKeyJSFSIUHCSLHMDO-UHFFFAOYSA-N
MW355.22 g/mol
LogP4.44
Rot. Bonds5

About N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-propan-2-yloxybenzamide

N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-propan-2-yloxybenzamide (PubChem CID 21187872) has the molecular formula C16H16Cl2N2O3 and a molecular weight of 355.22 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-propan-2-yloxybenzamide
PubChem CID21187872
Molecular FormulaC16H16Cl2N2O3
Molecular Weight355.22 g/mol
Exact Mass354.05
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-propan-2-yloxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC(C)C
InChIInChI=1S/C16H16Cl2N2O3/c1-9(2)23-14-6-10(4-5-13(14)22-3)16(21)20-15-11(17)7-19-8-12(15)18/h4-9H,1-3H3,(H,19,20,21)
InChIKeyJSFSIUHCSLHMDO-UHFFFAOYSA-N
XLogP4.44
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Roflumilast
CID 449193
Piclamilast
CID 154575
3-[2-(2,4-Dichlorophenyl)ethoxy]-4-methoxy-N-[(1-pyridin-4-ylpiperidin-4-YL)methyl]benzamide
CID 6420136
1-({3-[2-(2,4-Dichlorophenyl)ethoxy]-4-methoxyphenyl}carbonyl)-4-(pyridin-4-ylmethyl)piperazine
CID 10185372
4-{5-[({3-[2-(2,4-Dichlorophenyl)ethoxy]-4-methoxyphenyl}formamido)methyl]-4,5-dihydro-1,2-oxazol-3-yl}-1-oxidopyridin-1-ium
CID 11341303
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-{[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl}benzamide
CID 11398411
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-{[1-(2-methylpyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 11466687
1-({3-[2-(2,4-Dichlorophenyl)ethoxy]-4-ethoxyphenyl}carbonyl)-4-(pyridin-4-ylmethyl)piperazine
CID 11752638
3-[2-(2,4-dichlorophenyl)ethoxy]-4,5-dimethoxy-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052319
3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxy-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052325
3-[2-(5-chloropyridin-2-yl)ethoxy]-4-methoxy-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052339
3-[2-(2,4-dichlorophenyl)ethoxy]-4-(propan-2-yloxy)-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052392

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-propan-2-yloxybenzamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-propan-2-yloxybenzamide (CID 21187872) is N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-propan-2-yloxybenzamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-propan-2-yloxybenzamide is COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC(C)C.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-propan-2-yloxybenzamide?
The InChIKey is JSFSIUHCSLHMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3/c1-9(2)23-14-6-10(4-5-13(14)22-3)16(21)20-15-11(17)7-19-8-12(15)18/h4-9H,1-3H3,(H,19,20,21).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-propan-2-yloxybenzamide?
N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-propan-2-yloxybenzamide has a molecular weight of 355.22 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-propan-2-yloxybenzamide is sourced from PubChem (CID 21187872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).