N-benzyl-2-(1-bromonaphthalen-2-yl)oxyacetamide

C19H16BrNO2 — CID 1010834

IUPACN-benzyl-2-(1-bromonaphthalen-2-yl)oxyacetamide
SMILESO=C(COc1ccc2ccccc2c1Br)NCc1ccccc1
InChIInChI=1S/C19H16BrNO2/c20-19-16-9-5-4-8-15(16)10-11-17(19)23-13-18(22)21-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,21,22)
InChIKeyPSDJSQCJYOJUBU-UHFFFAOYSA-N
MW370.25 g/mol
LogP4.30
Rot. Bonds5

About N-benzyl-2-(1-bromonaphthalen-2-yl)oxyacetamide

N-benzyl-2-(1-bromonaphthalen-2-yl)oxyacetamide (PubChem CID 1010834) has the molecular formula C19H16BrNO2 and a molecular weight of 370.25 g/mol. Its IUPAC name is N-benzyl-2-(1-bromonaphthalen-2-yl)oxyacetamide.

Molecular Properties

Compound NameN-benzyl-2-(1-bromonaphthalen-2-yl)oxyacetamide
PubChem CID1010834
Molecular FormulaC19H16BrNO2
Molecular Weight370.25 g/mol
Exact Mass369.04
IUPAC NameN-benzyl-2-(1-bromonaphthalen-2-yl)oxyacetamide
SMILESO=C(COc1ccc2ccccc2c1Br)NCc1ccccc1
InChIInChI=1S/C19H16BrNO2/c20-19-16-9-5-4-8-15(16)10-11-17(19)23-13-18(22)21-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,21,22)
InChIKeyPSDJSQCJYOJUBU-UHFFFAOYSA-N
XLogP4.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1-bromonaphthalen-2-yl)oxyacetamide?
The IUPAC name of N-benzyl-2-(1-bromonaphthalen-2-yl)oxyacetamide (CID 1010834) is N-benzyl-2-(1-bromonaphthalen-2-yl)oxyacetamide.
What is the SMILES notation for N-benzyl-2-(1-bromonaphthalen-2-yl)oxyacetamide?
The canonical SMILES for N-benzyl-2-(1-bromonaphthalen-2-yl)oxyacetamide is O=C(COc1ccc2ccccc2c1Br)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(1-bromonaphthalen-2-yl)oxyacetamide?
The InChIKey is PSDJSQCJYOJUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO2/c20-19-16-9-5-4-8-15(16)10-11-17(19)23-13-18(22)21-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,21,22).
What are the key properties of N-benzyl-2-(1-bromonaphthalen-2-yl)oxyacetamide?
N-benzyl-2-(1-bromonaphthalen-2-yl)oxyacetamide has a molecular weight of 370.25 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1-bromonaphthalen-2-yl)oxyacetamide is sourced from PubChem (CID 1010834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).