4-bromo-3-chloro-N-(2-ethylhexyl)benzamide

C15H21BrClNO — CID 81307789

IUPAC4-bromo-3-chloro-N-(2-ethylhexyl)benzamide
SMILESCCCCC(CC)CNC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H21BrClNO/c1-3-5-6-11(4-2)10-18-15(19)12-7-8-13(16)14(17)9-12/h7-9,11H,3-6,10H2,1-2H3,(H,18,19)
InChIKeyQASPYWHHUMDXPO-UHFFFAOYSA-N
MW346.70 g/mol
LogP5.05
Rot. Bonds7

About 4-bromo-3-chloro-N-(2-ethylhexyl)benzamide

4-bromo-3-chloro-N-(2-ethylhexyl)benzamide (PubChem CID 81307789) has the molecular formula C15H21BrClNO and a molecular weight of 346.70 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(2-ethylhexyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(2-ethylhexyl)benzamide
PubChem CID81307789
Molecular FormulaC15H21BrClNO
Molecular Weight346.70 g/mol
Exact Mass345.05
IUPAC Name4-bromo-3-chloro-N-(2-ethylhexyl)benzamide
SMILESCCCCC(CC)CNC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H21BrClNO/c1-3-5-6-11(4-2)10-18-15(19)12-7-8-13(16)14(17)9-12/h7-9,11H,3-6,10H2,1-2H3,(H,18,19)
InChIKeyQASPYWHHUMDXPO-UHFFFAOYSA-N
XLogP5.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.70
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-4-ethoxy-N-[(2R)-2-ethylhexyl]benzamide
CID 100546421
[2-chloro-5-[[(2R)-2-ethylhexyl]carbamoyl]phenyl]boronic acid
CID 99738113
4-bromo-3-chloro-N-(2-methylbutyl)benzamide
CID 81308083
3-bromo-N-(4-bromo-2-ethylbutyl)-4-chlorobenzamide
CID 107994072
5,6-dichloro-N-(2-ethylhexyl)pyridine-3-carboxamide
CID 55026773
2-bromo-N-(2-ethylhexyl)-5-methylbenzamide
CID 81109580
4-chloro-3-(dimethylsulfamoyl)-N-(2-ethylhexyl)benzamide
CID 55334750
N-[(2S)-2-ethylhexyl]-4-iodobenzamide
CID 95356323
N-(4-bromo-2-ethylbutyl)-3-chloro-4-fluorobenzamide
CID 82878753
4-bromo-3-chloro-N-(3-chloro-2-methylpropyl)benzamide
CID 114302596
4-butyl-N-(2-ethylhexyl)benzamide
CID 91723782
N-(2-ethylhexyl)-1,3-benzodioxole-5-carboxamide
CID 2915932

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(2-ethylhexyl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-(2-ethylhexyl)benzamide (CID 81307789) is 4-bromo-3-chloro-N-(2-ethylhexyl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(2-ethylhexyl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-(2-ethylhexyl)benzamide is CCCCC(CC)CNC(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-(2-ethylhexyl)benzamide?
The InChIKey is QASPYWHHUMDXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClNO/c1-3-5-6-11(4-2)10-18-15(19)12-7-8-13(16)14(17)9-12/h7-9,11H,3-6,10H2,1-2H3,(H,18,19).
What are the key properties of 4-bromo-3-chloro-N-(2-ethylhexyl)benzamide?
4-bromo-3-chloro-N-(2-ethylhexyl)benzamide has a molecular weight of 346.70 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(2-ethylhexyl)benzamide is sourced from PubChem (CID 81307789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).