4-bromo-N-ethyl-N-(2-ethylhexyl)benzamide

C17H26BrNO — CID 91728276

IUPAC4-bromo-N-ethyl-N-(2-ethylhexyl)benzamide
SMILESCCCCC(CC)CN(CC)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H26BrNO/c1-4-7-8-14(5-2)13-19(6-3)17(20)15-9-11-16(18)12-10-15/h9-12,14H,4-8,13H2,1-3H3
InChIKeyRILUAARRMVTRJQ-UHFFFAOYSA-N
MW340.31 g/mol
LogP5.13
Rot. Bonds8

About 4-bromo-N-ethyl-N-(2-ethylhexyl)benzamide

4-bromo-N-ethyl-N-(2-ethylhexyl)benzamide (PubChem CID 91728276) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 4-bromo-N-ethyl-N-(2-ethylhexyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-ethyl-N-(2-ethylhexyl)benzamide
PubChem CID91728276
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name4-bromo-N-ethyl-N-(2-ethylhexyl)benzamide
SMILESCCCCC(CC)CN(CC)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H26BrNO/c1-4-7-8-14(5-2)13-19(6-3)17(20)15-9-11-16(18)12-10-15/h9-12,14H,4-8,13H2,1-3H3
InChIKeyRILUAARRMVTRJQ-UHFFFAOYSA-N
XLogP5.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.31
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N,N-dipentylbenzamide
CID 4599077
N-chloro-N-(2-ethylhexyl)benzamide
CID 150667226
N-ethyl-N-(2-ethylhexyl)-3-phenylpropanamide
CID 91693865
3-[(4-bromobenzoyl)-ethylamino]propanoic acid
CID 61007317
bis(2-ethylhexyl)carbamothioic S-acid
CID 25087104
4-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 8892305
N,N-bis(2-ethylhexyl)-2,4-difluorobenzamide
CID 91717598
N,N,N',N'-tetrakis(2-ethylhexyl)hexanediamide
CID 20752277
4-butyl-N,N-diethylbenzamide
CID 60675001
4-bromo-N-methyl-N-pentan-2-ylbenzamide
CID 43430203
ethyl 4-[(4-bromobenzoyl)-ethylamino]-2-methylsulfonylbutanoate
CID 145326089
2-chloro-N,N-bis[(2R)-2-ethylhexyl]acetamide
CID 129361637

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-N-(2-ethylhexyl)benzamide?
The IUPAC name of 4-bromo-N-ethyl-N-(2-ethylhexyl)benzamide (CID 91728276) is 4-bromo-N-ethyl-N-(2-ethylhexyl)benzamide.
What is the SMILES notation for 4-bromo-N-ethyl-N-(2-ethylhexyl)benzamide?
The canonical SMILES for 4-bromo-N-ethyl-N-(2-ethylhexyl)benzamide is CCCCC(CC)CN(CC)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-ethyl-N-(2-ethylhexyl)benzamide?
The InChIKey is RILUAARRMVTRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-4-7-8-14(5-2)13-19(6-3)17(20)15-9-11-16(18)12-10-15/h9-12,14H,4-8,13H2,1-3H3.
What are the key properties of 4-bromo-N-ethyl-N-(2-ethylhexyl)benzamide?
4-bromo-N-ethyl-N-(2-ethylhexyl)benzamide has a molecular weight of 340.31 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-N-(2-ethylhexyl)benzamide is sourced from PubChem (CID 91728276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).