2-(1-bromonaphthalen-2-yl)oxy-N-(pyridin-4-ylmethyl)acetamide

C18H15BrN2O2 — CID 1300933

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(COc1ccc2ccccc2c1Br)NCc1ccncc1
InChIInChI=1S/C18H15BrN2O2/c19-18-15-4-2-1-3-14(15)5-6-16(18)23-12-17(22)21-11-13-7-9-20-10-8-13/h1-10H,11-12H2,(H,21,22)
InChIKeyMTXXMFRQAMHRLZ-UHFFFAOYSA-N
MW371.23 g/mol
LogP3.69
Rot. Bonds5

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

2-(1-bromonaphthalen-2-yl)oxy-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 1300933) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-(pyridin-4-ylmethyl)acetamide
PubChem CID1300933
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(COc1ccc2ccccc2c1Br)NCc1ccncc1
InChIInChI=1S/C18H15BrN2O2/c19-18-15-4-2-1-3-14(15)5-6-16(18)23-12-17(22)21-11-13-7-9-20-10-8-13/h1-10H,11-12H2,(H,21,22)
InChIKeyMTXXMFRQAMHRLZ-UHFFFAOYSA-N
XLogP3.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 53.69
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-ylmethyl)acetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-(pyridin-4-ylmethyl)acetamide (CID 1300933) is 2-(1-bromonaphthalen-2-yl)oxy-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-(pyridin-4-ylmethyl)acetamide is O=C(COc1ccc2ccccc2c1Br)NCc1ccncc1.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is MTXXMFRQAMHRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2/c19-18-15-4-2-1-3-14(15)5-6-16(18)23-12-17(22)21-11-13-7-9-20-10-8-13/h1-10H,11-12H2,(H,21,22).
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-(pyridin-4-ylmethyl)acetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 371.23 g/mol, XLogP of 3.69, 5 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-ylmethyl)acetamide is sourced from PubChem (CID 1300933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).