2-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide

C17H16BrNO — CID 60630141

IUPAC2-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
SMILESO=C(NC1CCc2ccccc2C1)c1ccccc1Br
InChIInChI=1S/C17H16BrNO/c18-16-8-4-3-7-15(16)17(20)19-14-10-9-12-5-1-2-6-13(12)11-14/h1-8,14H,9-11H2,(H,19,20)
InChIKeySCYQDFHELLUSOW-UHFFFAOYSA-N
MW330.23 g/mol
LogP3.74
Rot. Bonds2

About 2-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide

2-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide (PubChem CID 60630141) has the molecular formula C17H16BrNO and a molecular weight of 330.23 g/mol. Its IUPAC name is 2-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
PubChem CID60630141
Molecular FormulaC17H16BrNO
Molecular Weight330.23 g/mol
Exact Mass329.04
IUPAC Name2-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
SMILESO=C(NC1CCc2ccccc2C1)c1ccccc1Br
InChIInChI=1S/C17H16BrNO/c18-16-8-4-3-7-15(16)17(20)19-14-10-9-12-5-1-2-6-13(12)11-14/h1-8,14H,9-11H2,(H,19,20)
InChIKeySCYQDFHELLUSOW-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide
CID 10199216
2-bromo-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110364
2-chloro-5-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 106501740
N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-4-carboxamide
CID 20872294
4-hydroxy-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 103865106
5-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2-carboxamide
CID 62953418
5-amino-2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 10493163
2-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 11775776
2,6-difluoro-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 95271360
2,6-difluoro-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 95271362
6-methyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carboxamide
CID 103717380
2-chloro-6-methyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide
CID 20872301

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide?
The IUPAC name of 2-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide (CID 60630141) is 2-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide?
The canonical SMILES for 2-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide is O=C(NC1CCc2ccccc2C1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide?
The InChIKey is SCYQDFHELLUSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO/c18-16-8-4-3-7-15(16)17(20)19-14-10-9-12-5-1-2-6-13(12)11-14/h1-8,14H,9-11H2,(H,19,20).
What are the key properties of 2-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide?
2-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide has a molecular weight of 330.23 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide is sourced from PubChem (CID 60630141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).