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

C13H16Cl3NO — CID 113273748

IUPAC2,4-dichloro-N-(4-chloro-2-ethylbutyl)benzamide
SMILESCCC(CCCl)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl3NO/c1-2-9(5-6-14)8-17-13(18)11-4-3-10(15)7-12(11)16/h3-4,7,9H,2,5-6,8H2,1H3,(H,17,18)
InChIKeyPJBRIGYNALLJTO-UHFFFAOYSA-N
MW308.64 g/mol
LogP4.38
Rot. Bonds6

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

2,4-dichloro-N-(4-chloro-2-ethylbutyl)benzamide (PubChem CID 113273748) has the molecular formula C13H16Cl3NO and a molecular weight of 308.64 g/mol. Its IUPAC name is 2,4-dichloro-N-(4-chloro-2-ethylbutyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(4-chloro-2-ethylbutyl)benzamide
PubChem CID113273748
Molecular FormulaC13H16Cl3NO
Molecular Weight308.64 g/mol
Exact Mass307.03
IUPAC Name2,4-dichloro-N-(4-chloro-2-ethylbutyl)benzamide
SMILESCCC(CCCl)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl3NO/c1-2-9(5-6-14)8-17-13(18)11-4-3-10(15)7-12(11)16/h3-4,7,9H,2,5-6,8H2,1H3,(H,17,18)
InChIKeyPJBRIGYNALLJTO-UHFFFAOYSA-N
XLogP4.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.64
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-(2-ethylbutyl)benzamide
CID 84513268
4-chloro-N-(4-chloro-2-ethylbutyl)benzamide
CID 114306518
2-chloro-N-[2-(2-chloroethyl)pentyl]-4-fluorobenzamide
CID 106117476
N-(4-chloro-2-ethylbutyl)-2,3-dihydroxybenzamide
CID 114345290
4-amino-2-chloro-N-(2-ethylbutyl)benzamide
CID 115738201
2-bromo-4-chloro-N-(2-ethylbutyl)benzamide
CID 113257506
3-[(2,4-dichlorobenzoyl)amino]-2-methylpropanoic acid
CID 62676717
2,4-dichloro-N-(4-chlorobutan-2-yl)benzamide
CID 83178224
N-(4-chloro-2-ethylbutyl)-2-methylbenzamide
CID 114306329
5-chloro-N-(2-ethyl-4-hydroxybutyl)-2-iodobenzamide
CID 113254459
5-chloro-N-(2-ethylbutyl)-2-hydroxybenzamide
CID 115613546
5-chloro-N-(2-ethylhexyl)-2-hydroxybenzamide
CID 14692803

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(4-chloro-2-ethylbutyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(4-chloro-2-ethylbutyl)benzamide (CID 113273748) is 2,4-dichloro-N-(4-chloro-2-ethylbutyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(4-chloro-2-ethylbutyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(4-chloro-2-ethylbutyl)benzamide is CCC(CCCl)CNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(4-chloro-2-ethylbutyl)benzamide?
The InChIKey is PJBRIGYNALLJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl3NO/c1-2-9(5-6-14)8-17-13(18)11-4-3-10(15)7-12(11)16/h3-4,7,9H,2,5-6,8H2,1H3,(H,17,18).
What are the key properties of 2,4-dichloro-N-(4-chloro-2-ethylbutyl)benzamide?
2,4-dichloro-N-(4-chloro-2-ethylbutyl)benzamide has a molecular weight of 308.64 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(4-chloro-2-ethylbutyl)benzamide is sourced from PubChem (CID 113273748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).