4-bromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide

C19H20BrNO — CID 2947526

IUPAC4-bromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H20BrNO/c1-13(21-19(22)15-8-10-18(20)11-9-15)16-7-6-14-4-2-3-5-17(14)12-16/h6-13H,2-5H2,1H3,(H,21,22)
InChIKeyLGRVTQRSFAJKGX-UHFFFAOYSA-N
MW358.28 g/mol
LogP4.82
Rot. Bonds3

About 4-bromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide

4-bromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide (PubChem CID 2947526) has the molecular formula C19H20BrNO and a molecular weight of 358.28 g/mol. Its IUPAC name is 4-bromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
PubChem CID2947526
Molecular FormulaC19H20BrNO
Molecular Weight358.28 g/mol
Exact Mass357.07
IUPAC Name4-bromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H20BrNO/c1-13(21-19(22)15-8-10-18(20)11-9-15)16-7-6-14-4-2-3-5-17(14)12-16/h6-13H,2-5H2,1H3,(H,21,22)
InChIKeyLGRVTQRSFAJKGX-UHFFFAOYSA-N
XLogP4.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?
The IUPAC name of 4-bromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide (CID 2947526) is 4-bromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide is CC(NC(=O)c1ccc(Br)cc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 4-bromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?
The InChIKey is LGRVTQRSFAJKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO/c1-13(21-19(22)15-8-10-18(20)11-9-15)16-7-6-14-4-2-3-5-17(14)12-16/h6-13H,2-5H2,1H3,(H,21,22).
What are the key properties of 4-bromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?
4-bromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide has a molecular weight of 358.28 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide is sourced from PubChem (CID 2947526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).