2,4-dibromo-N-butan-2-yl-N-ethylbenzamide

C13H17Br2NO — CID 107951577

IUPAC2,4-dibromo-N-butan-2-yl-N-ethylbenzamide
SMILESCCC(C)N(CC)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C13H17Br2NO/c1-4-9(3)16(5-2)13(17)11-7-6-10(14)8-12(11)15/h6-9H,4-5H2,1-3H3
InChIKeyWKSWUJHKOYLLKL-UHFFFAOYSA-N
MW363.09 g/mol
LogP4.47
Rot. Bonds4

About 2,4-dibromo-N-butan-2-yl-N-ethylbenzamide

2,4-dibromo-N-butan-2-yl-N-ethylbenzamide (PubChem CID 107951577) has the molecular formula C13H17Br2NO and a molecular weight of 363.09 g/mol. Its IUPAC name is 2,4-dibromo-N-butan-2-yl-N-ethylbenzamide.

Molecular Properties

Compound Name2,4-dibromo-N-butan-2-yl-N-ethylbenzamide
PubChem CID107951577
Molecular FormulaC13H17Br2NO
Molecular Weight363.09 g/mol
Exact Mass360.97
IUPAC Name2,4-dibromo-N-butan-2-yl-N-ethylbenzamide
SMILESCCC(C)N(CC)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C13H17Br2NO/c1-4-9(3)16(5-2)13(17)11-7-6-10(14)8-12(11)15/h6-9H,4-5H2,1-3H3
InChIKeyWKSWUJHKOYLLKL-UHFFFAOYSA-N
XLogP4.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.09
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,4-dibromo-N-butan-2-yl-N-ethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[butan-2-yl-(2,4-dibromobenzoyl)amino]acetic acid
CID 107937793
4-bromo-N-butan-2-yl-N-ethyl-2-fluorobenzamide
CID 43274768
2,4-dibromo-N-butan-2-yl-N-methylbenzamide
CID 103883121
2,4-dibromo-N-propan-2-yl-N-propylbenzamide
CID 107951573
2,4-dibromo-N,N-bis(2-methylpropyl)benzamide
CID 107951816
2,4-dibromo-N-(2-chloroethyl)-N-pentan-3-ylbenzamide
CID 114018643
2,4-dibromo-N-methyl-N-(2-methylbutyl)benzamide
CID 103882827
3,5-dibromo-N-butan-2-yl-N-ethylbenzamide
CID 107980072
2-[butan-2-yl-(2,5-dibromobenzoyl)amino]acetic acid
CID 114367924
2,4-dibromo-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 114019946
2-amino-N-butan-2-yl-N-ethylbenzamide
CID 43274061
5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide
CID 103280942

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-butan-2-yl-N-ethylbenzamide?
The IUPAC name of 2,4-dibromo-N-butan-2-yl-N-ethylbenzamide (CID 107951577) is 2,4-dibromo-N-butan-2-yl-N-ethylbenzamide.
What is the SMILES notation for 2,4-dibromo-N-butan-2-yl-N-ethylbenzamide?
The canonical SMILES for 2,4-dibromo-N-butan-2-yl-N-ethylbenzamide is CCC(C)N(CC)C(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-butan-2-yl-N-ethylbenzamide?
The InChIKey is WKSWUJHKOYLLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO/c1-4-9(3)16(5-2)13(17)11-7-6-10(14)8-12(11)15/h6-9H,4-5H2,1-3H3.
What are the key properties of 2,4-dibromo-N-butan-2-yl-N-ethylbenzamide?
2,4-dibromo-N-butan-2-yl-N-ethylbenzamide has a molecular weight of 363.09 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-butan-2-yl-N-ethylbenzamide is sourced from PubChem (CID 107951577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).