2-(1-bromonaphthalen-2-yl)oxy-N-cyclohexylacetamide

C18H20BrNO2 — CID 1010851

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-cyclohexylacetamide
SMILESO=C(COc1ccc2ccccc2c1Br)NC1CCCCC1
InChIInChI=1S/C18H20BrNO2/c19-18-15-9-5-4-6-13(15)10-11-16(18)22-12-17(21)20-14-7-2-1-3-8-14/h4-6,9-11,14H,1-3,7-8,12H2,(H,20,21)
InChIKeyFFNZSXVQLXOIIQ-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.43
Rot. Bonds4

About 2-(1-bromonaphthalen-2-yl)oxy-N-cyclohexylacetamide

2-(1-bromonaphthalen-2-yl)oxy-N-cyclohexylacetamide (PubChem CID 1010851) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-cyclohexylacetamide
PubChem CID1010851
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-cyclohexylacetamide
SMILESO=C(COc1ccc2ccccc2c1Br)NC1CCCCC1
InChIInChI=1S/C18H20BrNO2/c19-18-15-9-5-4-6-13(15)10-11-16(18)22-12-17(21)20-14-7-2-1-3-8-14/h4-6,9-11,14H,1-3,7-8,12H2,(H,20,21)
InChIKeyFFNZSXVQLXOIIQ-UHFFFAOYSA-N
XLogP4.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-cyclohexylacetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-cyclohexylacetamide (CID 1010851) is 2-(1-bromonaphthalen-2-yl)oxy-N-cyclohexylacetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-cyclohexylacetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-cyclohexylacetamide is O=C(COc1ccc2ccccc2c1Br)NC1CCCCC1.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-cyclohexylacetamide?
The InChIKey is FFNZSXVQLXOIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c19-18-15-9-5-4-6-13(15)10-11-16(18)22-12-17(21)20-14-7-2-1-3-8-14/h4-6,9-11,14H,1-3,7-8,12H2,(H,20,21).
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-cyclohexylacetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-cyclohexylacetamide has a molecular weight of 362.27 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-N-cyclohexylacetamide is sourced from PubChem (CID 1010851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).