2-(2,4-dichlorophenoxy)-N-(4,6-dichloropyrimidin-2-yl)propanamide

C13H9Cl4N3O2 — CID 141112918

IUPAC2-(2,4-dichlorophenoxy)-N-(4,6-dichloropyrimidin-2-yl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc(Cl)cc(Cl)n1
InChIInChI=1S/C13H9Cl4N3O2/c1-6(22-9-3-2-7(14)4-8(9)15)12(21)20-13-18-10(16)5-11(17)19-13/h2-6H,1H3,(H,18,19,20,21)
InChIKeyBGWCKTJDEMMGKZ-UHFFFAOYSA-N
MW381.05 g/mol
LogP4.50
Rot. Bonds4

About 2-(2,4-dichlorophenoxy)-N-(4,6-dichloropyrimidin-2-yl)propanamide

2-(2,4-dichlorophenoxy)-N-(4,6-dichloropyrimidin-2-yl)propanamide (PubChem CID 141112918) has the molecular formula C13H9Cl4N3O2 and a molecular weight of 381.05 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(4,6-dichloropyrimidin-2-yl)propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(4,6-dichloropyrimidin-2-yl)propanamide
PubChem CID141112918
Molecular FormulaC13H9Cl4N3O2
Molecular Weight381.05 g/mol
Exact Mass378.94
IUPAC Name2-(2,4-dichlorophenoxy)-N-(4,6-dichloropyrimidin-2-yl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc(Cl)cc(Cl)n1
InChIInChI=1S/C13H9Cl4N3O2/c1-6(22-9-3-2-7(14)4-8(9)15)12(21)20-13-18-10(16)5-11(17)19-13/h2-6H,1H3,(H,18,19,20,21)
InChIKeyBGWCKTJDEMMGKZ-UHFFFAOYSA-N
XLogP4.50
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.05
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide
CID 672613
(2S)-2-(2,4-dichlorophenoxy)-N-(4-methylpyrimidin-2-yl)propanamide
CID 1094229
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)propanamide
CID 697237
N-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2939243
2-(2,4-dichlorophenoxy)-N-(1H-imidazol-2-yl)propanamide
CID 60967358
2-(2,4-dichlorophenoxy)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 4249290
(2R)-2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1335441
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 7939457
2-(2,4-dichlorophenoxy)-N-(3-methyl-2-pyridinyl)propanamide
CID 4097411
N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2725599

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(4,6-dichloropyrimidin-2-yl)propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(4,6-dichloropyrimidin-2-yl)propanamide (CID 141112918) is 2-(2,4-dichlorophenoxy)-N-(4,6-dichloropyrimidin-2-yl)propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(4,6-dichloropyrimidin-2-yl)propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(4,6-dichloropyrimidin-2-yl)propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc(Cl)cc(Cl)n1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(4,6-dichloropyrimidin-2-yl)propanamide?
The InChIKey is BGWCKTJDEMMGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl4N3O2/c1-6(22-9-3-2-7(14)4-8(9)15)12(21)20-13-18-10(16)5-11(17)19-13/h2-6H,1H3,(H,18,19,20,21).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(4,6-dichloropyrimidin-2-yl)propanamide?
2-(2,4-dichlorophenoxy)-N-(4,6-dichloropyrimidin-2-yl)propanamide has a molecular weight of 381.05 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(4,6-dichloropyrimidin-2-yl)propanamide is sourced from PubChem (CID 141112918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).