2,4-dichloro-N-(4-chlorobutan-2-yl)benzamide

C11H12Cl3NO — CID 83178224

IUPAC2,4-dichloro-N-(4-chlorobutan-2-yl)benzamide
SMILESCC(CCCl)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl3NO/c1-7(4-5-12)15-11(16)9-3-2-8(13)6-10(9)14/h2-3,6-7H,4-5H2,1H3,(H,15,16)
InChIKeyXHCQGSAAWUYUEM-UHFFFAOYSA-N
MW280.58 g/mol
LogP3.74
Rot. Bonds4

About 2,4-dichloro-N-(4-chlorobutan-2-yl)benzamide

2,4-dichloro-N-(4-chlorobutan-2-yl)benzamide (PubChem CID 83178224) has the molecular formula C11H12Cl3NO and a molecular weight of 280.58 g/mol. Its IUPAC name is 2,4-dichloro-N-(4-chlorobutan-2-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(4-chlorobutan-2-yl)benzamide
PubChem CID83178224
Molecular FormulaC11H12Cl3NO
Molecular Weight280.58 g/mol
Exact Mass279.00
IUPAC Name2,4-dichloro-N-(4-chlorobutan-2-yl)benzamide
SMILESCC(CCCl)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl3NO/c1-7(4-5-12)15-11(16)9-3-2-8(13)6-10(9)14/h2-3,6-7H,4-5H2,1H3,(H,15,16)
InChIKeyXHCQGSAAWUYUEM-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.58
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,4-dichloro-N-(4-chlorobutan-2-yl)benzamide 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

N-butyl-2-chlorobenzamide
CID 347041
2-Chloro-N-phenethyl-benzamide
CID 692233
N-benzyl-4-chlorobenzamide
CID 346668
N-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide
CID 1069892
1-(2-Chloro-benzoyl)-piperazine
CID 2060585
4-Chloro-N-phenethylbenzamide
CID 306479
N-Benzyl-2-chloro-benzamide
CID 347073
Benzamide, 4-chloro-N-methyl-
CID 101339
4-Chloro-N-(5-hydroxycarbamoyl-pentyl)-benzamide
CID 403373
2,6-Dichloro-N-[1-(1-methylethyl)-4-piperidinyl]benzamide
CID 25236799
Benzamide derivative 11
CID 41306362
2,6-dichloro-N-(2-oxo-1H-pyridin-4-yl)benzamide
CID 59618445

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(4-chlorobutan-2-yl)benzamide?
The IUPAC name of 2,4-dichloro-N-(4-chlorobutan-2-yl)benzamide (CID 83178224) is 2,4-dichloro-N-(4-chlorobutan-2-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(4-chlorobutan-2-yl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(4-chlorobutan-2-yl)benzamide is CC(CCCl)NC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(4-chlorobutan-2-yl)benzamide?
The InChIKey is XHCQGSAAWUYUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3NO/c1-7(4-5-12)15-11(16)9-3-2-8(13)6-10(9)14/h2-3,6-7H,4-5H2,1H3,(H,15,16).
What are the key properties of 2,4-dichloro-N-(4-chlorobutan-2-yl)benzamide?
2,4-dichloro-N-(4-chlorobutan-2-yl)benzamide has a molecular weight of 280.58 g/mol, XLogP of 3.74, 4 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-chlorobutan-2-yl)benzamide is sourced from PubChem (CID 83178224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).