2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide

C17H16BrNO — CID 795594

IUPAC2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
SMILESO=C(Nc1cccc2c1CCCC2)c1ccccc1Br
InChIInChI=1S/C17H16BrNO/c18-15-10-4-3-9-14(15)17(20)19-16-11-5-7-12-6-1-2-8-13(12)16/h3-5,7,9-11H,1-2,6,8H2,(H,19,20)
InChIKeyCCOXHNGTYCBMOG-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.58
Rot. Bonds2

About 2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide

2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 795594) has the molecular formula C17H16BrNO and a molecular weight of 330.23 g/mol. Its IUPAC name is 2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
PubChem CID795594
Molecular FormulaC17H16BrNO
Molecular Weight330.23 g/mol
Exact Mass329.04
IUPAC Name2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
SMILESO=C(Nc1cccc2c1CCCC2)c1ccccc1Br
InChIInChI=1S/C17H16BrNO/c18-15-10-4-3-9-14(15)17(20)19-16-11-5-7-12-6-1-2-8-13(12)16/h3-5,7,9-11H,1-2,6,8H2,(H,19,20)
InChIKeyCCOXHNGTYCBMOG-UHFFFAOYSA-N
XLogP4.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of 2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide (CID 795594) is 2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for 2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide is O=C(Nc1cccc2c1CCCC2)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is CCOXHNGTYCBMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO/c18-15-10-4-3-9-14(15)17(20)19-16-11-5-7-12-6-1-2-8-13(12)16/h3-5,7,9-11H,1-2,6,8H2,(H,19,20).
What are the key properties of 2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 330.23 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 795594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).