2-(4-formylphenoxy)-N-pyrimidin-5-ylacetamide

C13H11N3O3 — CID 122446395

IUPAC2-(4-formylphenoxy)-N-pyrimidin-5-ylacetamide
SMILESO=Cc1ccc(OCC(=O)Nc2cncnc2)cc1
InChIInChI=1S/C13H11N3O3/c17-7-10-1-3-12(4-2-10)19-8-13(18)16-11-5-14-9-15-6-11/h1-7,9H,8H2,(H,16,18)
InChIKeyWCQUPWCZRBFFIJ-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.31
Rot. Bonds5

About 2-(4-formylphenoxy)-N-pyrimidin-5-ylacetamide

2-(4-formylphenoxy)-N-pyrimidin-5-ylacetamide (PubChem CID 122446395) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-(4-formylphenoxy)-N-pyrimidin-5-ylacetamide.

Molecular Properties

Compound Name2-(4-formylphenoxy)-N-pyrimidin-5-ylacetamide
PubChem CID122446395
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name2-(4-formylphenoxy)-N-pyrimidin-5-ylacetamide
SMILESO=Cc1ccc(OCC(=O)Nc2cncnc2)cc1
InChIInChI=1S/C13H11N3O3/c17-7-10-1-3-12(4-2-10)19-8-13(18)16-11-5-14-9-15-6-11/h1-7,9H,8H2,(H,16,18)
InChIKeyWCQUPWCZRBFFIJ-UHFFFAOYSA-N
XLogP1.31
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(4-carbamothioylphenyl)-2-(4-formylphenoxy)acetamide
CID 39159240
N-(3-chloro-4-fluorophenyl)-2-(4-formylphenoxy)acetamide
CID 2215496
N-(4-butylphenyl)-2-(4-formylphenoxy)acetamide
CID 23409214
2-(3-formylphenoxy)-N-pyridin-3-ylacetamide
CID 86685448
N-(2,6-diethylphenyl)-2-(4-formylphenoxy)acetamide
CID 23409164
N-(2-bromophenyl)-2-(4-formylphenoxy)acetamide
CID 23410083
N-(3-chloro-4-methoxyphenyl)-2-(4-formylphenoxy)acetamide
CID 23409469
2-(4-chlorophenoxy)-N-(3-formylphenyl)acetamide
CID 106912648
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
N-benzyl-2-(4-formylphenoxy)acetamide
CID 17201664
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
N-(4-methylphenyl)-2-[4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetamide
CID 126014186

Frequently Asked Questions

What is the IUPAC name of 2-(4-formylphenoxy)-N-pyrimidin-5-ylacetamide?
The IUPAC name of 2-(4-formylphenoxy)-N-pyrimidin-5-ylacetamide (CID 122446395) is 2-(4-formylphenoxy)-N-pyrimidin-5-ylacetamide.
What is the SMILES notation for 2-(4-formylphenoxy)-N-pyrimidin-5-ylacetamide?
The canonical SMILES for 2-(4-formylphenoxy)-N-pyrimidin-5-ylacetamide is O=Cc1ccc(OCC(=O)Nc2cncnc2)cc1.
What is the InChIKey of 2-(4-formylphenoxy)-N-pyrimidin-5-ylacetamide?
The InChIKey is WCQUPWCZRBFFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c17-7-10-1-3-12(4-2-10)19-8-13(18)16-11-5-14-9-15-6-11/h1-7,9H,8H2,(H,16,18).
What are the key properties of 2-(4-formylphenoxy)-N-pyrimidin-5-ylacetamide?
2-(4-formylphenoxy)-N-pyrimidin-5-ylacetamide has a molecular weight of 257.25 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylphenoxy)-N-pyrimidin-5-ylacetamide is sourced from PubChem (CID 122446395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).