2-(4-bromophenoxy)-N-(4-pyrimidin-2-yloxyphenyl)acetamide

C18H14BrN3O3 — CID 55834611

IUPAC2-(4-bromophenoxy)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C18H14BrN3O3/c19-13-2-6-15(7-3-13)24-12-17(23)22-14-4-8-16(9-5-14)25-18-20-10-1-11-21-18/h1-11H,12H2,(H,22,23)
InChIKeyPGFFZSPOCKASJN-UHFFFAOYSA-N
MW400.23 g/mol
LogP4.05
Rot. Bonds6

About 2-(4-bromophenoxy)-N-(4-pyrimidin-2-yloxyphenyl)acetamide

2-(4-bromophenoxy)-N-(4-pyrimidin-2-yloxyphenyl)acetamide (PubChem CID 55834611) has the molecular formula C18H14BrN3O3 and a molecular weight of 400.23 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(4-pyrimidin-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
PubChem CID55834611
Molecular FormulaC18H14BrN3O3
Molecular Weight400.23 g/mol
Exact Mass399.02
IUPAC Name2-(4-bromophenoxy)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C18H14BrN3O3/c19-13-2-6-15(7-3-13)24-12-17(23)22-14-4-8-16(9-5-14)25-18-20-10-1-11-21-18/h1-11H,12H2,(H,22,23)
InChIKeyPGFFZSPOCKASJN-UHFFFAOYSA-N
XLogP4.05
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.23
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313
N-(4-bromophenyl)-2-(4-iodophenoxy)acetamide
CID 55027089
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 1256496
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide
CID 1361282
N-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide
CID 7818711
2-(4-bromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 759062
2-(4-bromophenoxy)-N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 55989555
2-(4-bromophenoxy)-N-(3-bromophenyl)acetamide
CID 2631877
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide
CID 55901957
2-(4-bromophenoxy)-N-(6-chloro-3-pyridinyl)acetamide
CID 54787948
N-(4-bromophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 3473577
N-(4-bromophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093191

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(4-pyrimidin-2-yloxyphenyl)acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(4-pyrimidin-2-yloxyphenyl)acetamide (CID 55834611) is 2-(4-bromophenoxy)-N-(4-pyrimidin-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(4-pyrimidin-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(4-pyrimidin-2-yloxyphenyl)acetamide is O=C(COc1ccc(Br)cc1)Nc1ccc(Oc2ncccn2)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(4-pyrimidin-2-yloxyphenyl)acetamide?
The InChIKey is PGFFZSPOCKASJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O3/c19-13-2-6-15(7-3-13)24-12-17(23)22-14-4-8-16(9-5-14)25-18-20-10-1-11-21-18/h1-11H,12H2,(H,22,23).
What are the key properties of 2-(4-bromophenoxy)-N-(4-pyrimidin-2-yloxyphenyl)acetamide?
2-(4-bromophenoxy)-N-(4-pyrimidin-2-yloxyphenyl)acetamide has a molecular weight of 400.23 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(4-pyrimidin-2-yloxyphenyl)acetamide is sourced from PubChem (CID 55834611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).