N-(2-bromophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

C18H18BrNO — CID 1250182

IUPACN-(2-bromophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)CCCC2)Nc1ccccc1Br
InChIInChI=1S/C18H18BrNO/c19-16-7-3-4-8-17(16)20-18(21)12-13-9-10-14-5-1-2-6-15(14)11-13/h3-4,7-11H,1-2,5-6,12H2,(H,20,21)
InChIKeyDTSDGDODMBNKDW-UHFFFAOYSA-N
MW344.25 g/mol
LogP4.51
Rot. Bonds3

About N-(2-bromophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

N-(2-bromophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 1250182) has the molecular formula C18H18BrNO and a molecular weight of 344.25 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
PubChem CID1250182
Molecular FormulaC18H18BrNO
Molecular Weight344.25 g/mol
Exact Mass343.06
IUPAC NameN-(2-bromophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)CCCC2)Nc1ccccc1Br
InChIInChI=1S/C18H18BrNO/c19-16-7-3-4-8-17(16)20-18(21)12-13-9-10-14-5-1-2-6-15(14)11-13/h3-4,7-11H,1-2,5-6,12H2,(H,20,21)
InChIKeyDTSDGDODMBNKDW-UHFFFAOYSA-N
XLogP4.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (CID 1250182) is N-(2-bromophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is O=C(Cc1ccc2c(c1)CCCC2)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The InChIKey is DTSDGDODMBNKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO/c19-16-7-3-4-8-17(16)20-18(21)12-13-9-10-14-5-1-2-6-15(14)11-13/h3-4,7-11H,1-2,5-6,12H2,(H,20,21).
What are the key properties of N-(2-bromophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
N-(2-bromophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 344.25 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 1250182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).