2-bromo-N-[(2S)-2-ethylhexyl]benzamide

C15H22BrNO — CID 2287218

IUPAC2-bromo-N-[(2S)-2-ethylhexyl]benzamide
SMILESCCCC[C@H](CC)CNC(=O)c1ccccc1Br
InChIInChI=1S/C15H22BrNO/c1-3-5-8-12(4-2)11-17-15(18)13-9-6-7-10-14(13)16/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyXDZKZPWWMWGIGX-LBPRGKRZSA-N
MW312.25 g/mol
LogP4.40
Rot. Bonds7

About 2-bromo-N-[(2S)-2-ethylhexyl]benzamide

2-bromo-N-[(2S)-2-ethylhexyl]benzamide (PubChem CID 2287218) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-bromo-N-[(2S)-2-ethylhexyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(2S)-2-ethylhexyl]benzamide
PubChem CID2287218
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name2-bromo-N-[(2S)-2-ethylhexyl]benzamide
SMILESCCCC[C@H](CC)CNC(=O)c1ccccc1Br
InChIInChI=1S/C15H22BrNO/c1-3-5-8-12(4-2)11-17-15(18)13-9-6-7-10-14(13)16/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyXDZKZPWWMWGIGX-LBPRGKRZSA-N
XLogP4.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 66524068
2-bromo-N-(2-ethylhexyl)-5-methylbenzamide
CID 81109580
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CID 61377678
2-amino-N-(2-ethylhexyl)-3-methylbenzamide
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N-(2-ethylhexyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 42941260
N-[(2R)-2-ethylhexyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 94612530
1-N,5-N-didodecyl-2-N,4-N-bis(2-ethylhexyl)benzene-1,2,4,5-tetracarboxamide
CID 122598400
2-N,4-N-bis(2-ethylhexyl)-5-N-heptadecyl-1-N-octadecylbenzene-1,2,4,5-tetracarboxamide
CID 146329871
2-bromo-N-(2-bromo-3-ethylpentyl)benzamide
CID 114168800
2-N,6-N-bis(2-ethylhexyl)pyridine-2,6-dicarboxamide
CID 5210058
N-[(2R)-2-ethylhexyl]-2-methylfuran-3-carboxamide
CID 40537880
4-bromo-3-chloro-N-(2-ethylhexyl)benzamide
CID 81307789

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2S)-2-ethylhexyl]benzamide?
The IUPAC name of 2-bromo-N-[(2S)-2-ethylhexyl]benzamide (CID 2287218) is 2-bromo-N-[(2S)-2-ethylhexyl]benzamide.
What is the SMILES notation for 2-bromo-N-[(2S)-2-ethylhexyl]benzamide?
The canonical SMILES for 2-bromo-N-[(2S)-2-ethylhexyl]benzamide is CCCC[C@H](CC)CNC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(2S)-2-ethylhexyl]benzamide?
The InChIKey is XDZKZPWWMWGIGX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-3-5-8-12(4-2)11-17-15(18)13-9-6-7-10-14(13)16/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)/t12-/m0/s1.
What are the key properties of 2-bromo-N-[(2S)-2-ethylhexyl]benzamide?
2-bromo-N-[(2S)-2-ethylhexyl]benzamide has a molecular weight of 312.25 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2S)-2-ethylhexyl]benzamide is sourced from PubChem (CID 2287218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).