2-(1-bromonaphthalen-2-yl)oxy-N-pyridin-4-ylacetamide

C17H13BrN2O2 — CID 1301702

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-pyridin-4-ylacetamide
SMILESO=C(COc1ccc2ccccc2c1Br)Nc1ccncc1
InChIInChI=1S/C17H13BrN2O2/c18-17-14-4-2-1-3-12(14)5-6-15(17)22-11-16(21)20-13-7-9-19-10-8-13/h1-10H,11H2,(H,19,20,21)
InChIKeyGSRWLRFSCHYKJZ-UHFFFAOYSA-N
MW357.21 g/mol
LogP4.01
Rot. Bonds4

About 2-(1-bromonaphthalen-2-yl)oxy-N-pyridin-4-ylacetamide

2-(1-bromonaphthalen-2-yl)oxy-N-pyridin-4-ylacetamide (PubChem CID 1301702) has the molecular formula C17H13BrN2O2 and a molecular weight of 357.21 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-pyridin-4-ylacetamide
PubChem CID1301702
Molecular FormulaC17H13BrN2O2
Molecular Weight357.21 g/mol
Exact Mass356.02
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-pyridin-4-ylacetamide
SMILESO=C(COc1ccc2ccccc2c1Br)Nc1ccncc1
InChIInChI=1S/C17H13BrN2O2/c18-17-14-4-2-1-3-12(14)5-6-15(17)22-11-16(21)20-13-7-9-19-10-8-13/h1-10H,11H2,(H,19,20,21)
InChIKeyGSRWLRFSCHYKJZ-UHFFFAOYSA-N
XLogP4.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-pyridin-4-ylacetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-pyridin-4-ylacetamide (CID 1301702) is 2-(1-bromonaphthalen-2-yl)oxy-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-pyridin-4-ylacetamide is O=C(COc1ccc2ccccc2c1Br)Nc1ccncc1.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-pyridin-4-ylacetamide?
The InChIKey is GSRWLRFSCHYKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O2/c18-17-14-4-2-1-3-12(14)5-6-15(17)22-11-16(21)20-13-7-9-19-10-8-13/h1-10H,11H2,(H,19,20,21).
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-pyridin-4-ylacetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-pyridin-4-ylacetamide has a molecular weight of 357.21 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-N-pyridin-4-ylacetamide is sourced from PubChem (CID 1301702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).