2-(4-chlorophenoxy)-2-methyl-N-pyrimidin-2-ylpropanamide

C14H14ClN3O2 — CID 596278

IUPAC2-(4-chlorophenoxy)-2-methyl-N-pyrimidin-2-ylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ncccn1
InChIInChI=1S/C14H14ClN3O2/c1-14(2,20-11-6-4-10(15)5-7-11)12(19)18-13-16-8-3-9-17-13/h3-9H,1-2H3,(H,16,17,18,19)
InChIKeyYEQSESIAZAQEST-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.93
Rot. Bonds4

About 2-(4-chlorophenoxy)-2-methyl-N-pyrimidin-2-ylpropanamide

2-(4-chlorophenoxy)-2-methyl-N-pyrimidin-2-ylpropanamide (PubChem CID 596278) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-pyrimidin-2-ylpropanamide
PubChem CID596278
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-pyrimidin-2-ylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ncccn1
InChIInChI=1S/C14H14ClN3O2/c1-14(2,20-11-6-4-10(15)5-7-11)12(19)18-13-16-8-3-9-17-13/h3-9H,1-2H3,(H,16,17,18,19)
InChIKeyYEQSESIAZAQEST-UHFFFAOYSA-N
XLogP2.93
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-pyrimidin-2-ylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-pyrimidin-2-ylpropanamide (CID 596278) is 2-(4-chlorophenoxy)-2-methyl-N-pyrimidin-2-ylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-pyrimidin-2-ylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-pyrimidin-2-ylpropanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ncccn1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-pyrimidin-2-ylpropanamide?
The InChIKey is YEQSESIAZAQEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-14(2,20-11-6-4-10(15)5-7-11)12(19)18-13-16-8-3-9-17-13/h3-9H,1-2H3,(H,16,17,18,19).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-pyrimidin-2-ylpropanamide?
2-(4-chlorophenoxy)-2-methyl-N-pyrimidin-2-ylpropanamide has a molecular weight of 291.74 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 596278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).