2,4-dichloro-N-(2-ethylbutyl)benzamide

C13H17Cl2NO — CID 84513268

IUPAC2,4-dichloro-N-(2-ethylbutyl)benzamide
SMILESCCC(CC)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-3-9(4-2)8-16-13(17)11-6-5-10(14)7-12(11)15/h5-7,9H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyBGYSVKYJZWPNLQ-UHFFFAOYSA-N
MW274.19 g/mol
LogP4.16
Rot. Bonds5

About 2,4-dichloro-N-(2-ethylbutyl)benzamide

2,4-dichloro-N-(2-ethylbutyl)benzamide (PubChem CID 84513268) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-ethylbutyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2-ethylbutyl)benzamide
PubChem CID84513268
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name2,4-dichloro-N-(2-ethylbutyl)benzamide
SMILESCCC(CC)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-3-9(4-2)8-16-13(17)11-6-5-10(14)7-12(11)15/h5-7,9H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyBGYSVKYJZWPNLQ-UHFFFAOYSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dichloro-N-(4-chloro-2-ethylbutyl)benzamide
CID 113273748
4-amino-2-chloro-N-(2-ethylbutyl)benzamide
CID 115738201
2-bromo-4-chloro-N-(2-ethylbutyl)benzamide
CID 113257506
5-chloro-N-(2-ethylbutyl)-2-hydroxybenzamide
CID 115613546
3-[(2,4-dichlorobenzoyl)amino]-2-methylpropanoic acid
CID 62676717
2-chloro-N-(2-ethylbutyl)-4-nitrobenzamide
CID 113232033
2,4-dichloro-N-pentan-3-ylbenzamide
CID 884996
2,4-dichloro-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 110280061
N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 8852436
2-chloro-N-(2-ethylbutyl)-5-methylsulfanylbenzamide
CID 115612538
5-chloro-N-(2-ethyl-4-hydroxybutyl)-2-iodobenzamide
CID 113254459
2,4-dichloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide
CID 27230027

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2-ethylbutyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(2-ethylbutyl)benzamide (CID 84513268) is 2,4-dichloro-N-(2-ethylbutyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(2-ethylbutyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(2-ethylbutyl)benzamide is CCC(CC)CNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(2-ethylbutyl)benzamide?
The InChIKey is BGYSVKYJZWPNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-3-9(4-2)8-16-13(17)11-6-5-10(14)7-12(11)15/h5-7,9H,3-4,8H2,1-2H3,(H,16,17).
What are the key properties of 2,4-dichloro-N-(2-ethylbutyl)benzamide?
2,4-dichloro-N-(2-ethylbutyl)benzamide has a molecular weight of 274.19 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-ethylbutyl)benzamide is sourced from PubChem (CID 84513268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).