2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide

C13H11Cl2N3O2 — CID 2862668

IUPAC2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ncccn1
InChIInChI=1S/C13H11Cl2N3O2/c1-8(12(19)18-13-16-5-2-6-17-13)20-11-4-3-9(14)7-10(11)15/h2-8H,1H3,(H,16,17,18,19)
InChIKeySLUKJXCZVAKLDK-UHFFFAOYSA-N
MW312.16 g/mol
LogP3.19
Rot. Bonds4

About 2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide

2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide (PubChem CID 2862668) has the molecular formula C13H11Cl2N3O2 and a molecular weight of 312.16 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide
PubChem CID2862668
Molecular FormulaC13H11Cl2N3O2
Molecular Weight312.16 g/mol
Exact Mass311.02
IUPAC Name2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ncccn1
InChIInChI=1S/C13H11Cl2N3O2/c1-8(12(19)18-13-16-5-2-6-17-13)20-11-4-3-9(14)7-10(11)15/h2-8H,1H3,(H,16,17,18,19)
InChIKeySLUKJXCZVAKLDK-UHFFFAOYSA-N
XLogP3.19
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-(pyrimidin-2-yl)acetamide
CID 686157
2-(2,4-dichlorophenoxy)-N-(2-((4-methoxy-6-methylpyrimidin-2-yl)oxy)ethyl)acetamide
CID 654040
2-(2,4-dichlorophenoxy)-N-pyridin-2-ylacetamide
CID 792334
4-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylbutanamide
CID 2244635
4-(2,4-dichlorophenoxy)-N-(pyridin-2-yl)butanamide
CID 1581462
4-[1-(2,4-Dichlorophenoxy)ethyl]pyrimidin-2-amine
CID 4364908
2-(4-chlorophenoxy)-N-(5-chloropyridin-2-yl)acetamide
CID 646465
N-(5-chloropyridin-2-yl)-2-(2,4-dichlorophenoxy)acetamide
CID 871057
2-(2-chlorophenoxy)-N-(5-chloro-2-pyridinyl)acetamide
CID 883796
2-(4-Chlorophenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 2103434
2-(2-Chlorophenoxy)-1-(4-pyrimidin-2-ylpiperazinyl)ethan-1-one
CID 2707505
2-(4-chlorophenoxy)-N-(4-methylpyrimidin-2-yl)acetamide
CID 1094212

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide (CID 2862668) is 2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ncccn1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide?
The InChIKey is SLUKJXCZVAKLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O2/c1-8(12(19)18-13-16-5-2-6-17-13)20-11-4-3-9(14)7-10(11)15/h2-8H,1H3,(H,16,17,18,19).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide?
2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide has a molecular weight of 312.16 g/mol, XLogP of 3.19, 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-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 2862668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).