2-bromo-N-(2-ethylhexyl)-5-methylbenzamide

C16H24BrNO — CID 81109580

IUPAC2-bromo-N-(2-ethylhexyl)-5-methylbenzamide
SMILESCCCCC(CC)CNC(=O)c1cc(C)ccc1Br
InChIInChI=1S/C16H24BrNO/c1-4-6-7-13(5-2)11-18-16(19)14-10-12(3)8-9-15(14)17/h8-10,13H,4-7,11H2,1-3H3,(H,18,19)
InChIKeyAYZSYRFSBOTNNZ-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.70
Rot. Bonds7

About 2-bromo-N-(2-ethylhexyl)-5-methylbenzamide

2-bromo-N-(2-ethylhexyl)-5-methylbenzamide (PubChem CID 81109580) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-bromo-N-(2-ethylhexyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-ethylhexyl)-5-methylbenzamide
PubChem CID81109580
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name2-bromo-N-(2-ethylhexyl)-5-methylbenzamide
SMILESCCCCC(CC)CNC(=O)c1cc(C)ccc1Br
InChIInChI=1S/C16H24BrNO/c1-4-6-7-13(5-2)11-18-16(19)14-10-12(3)8-9-15(14)17/h8-10,13H,4-7,11H2,1-3H3,(H,18,19)
InChIKeyAYZSYRFSBOTNNZ-UHFFFAOYSA-N
XLogP4.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(4-bromo-2-ethylbutyl)-5-methylbenzamide
CID 114317834
N-[(2S)-2-ethylhexyl]-2-iodo-4-methylbenzamide
CID 100527557
2-bromo-N-[(2S)-2-ethylhexyl]benzamide
CID 2287218
2-bromo-N-(2-chloropropyl)-5-methylbenzamide
CID 114296737
2-bromo-N-(2,2-difluoroethyl)-5-methylbenzamide
CID 81002658
4-bromo-3-chloro-N-(2-ethylhexyl)benzamide
CID 81307789
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
N-(1-aminohexan-2-yl)-2-bromo-5-methylbenzamide
CID 81112560
2-bromo-N-hexyl-5-methylbenzamide
CID 80980200
N-(4-bromo-2-ethylbutyl)-2-fluoro-4-methylbenzamide
CID 113276417
N-(2-ethylhexyl)-2-hydroxybenzamide
CID 66524068

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-ethylhexyl)-5-methylbenzamide?
The IUPAC name of 2-bromo-N-(2-ethylhexyl)-5-methylbenzamide (CID 81109580) is 2-bromo-N-(2-ethylhexyl)-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(2-ethylhexyl)-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-(2-ethylhexyl)-5-methylbenzamide is CCCCC(CC)CNC(=O)c1cc(C)ccc1Br.
What is the InChIKey of 2-bromo-N-(2-ethylhexyl)-5-methylbenzamide?
The InChIKey is AYZSYRFSBOTNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-4-6-7-13(5-2)11-18-16(19)14-10-12(3)8-9-15(14)17/h8-10,13H,4-7,11H2,1-3H3,(H,18,19).
What are the key properties of 2-bromo-N-(2-ethylhexyl)-5-methylbenzamide?
2-bromo-N-(2-ethylhexyl)-5-methylbenzamide has a molecular weight of 326.28 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-ethylhexyl)-5-methylbenzamide is sourced from PubChem (CID 81109580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).