2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide

C12H14Cl3NO — CID 115364431

IUPAC2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
SMILESCC(C)(CCl)CNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl3NO/c1-12(2,6-13)7-16-11(17)9-5-8(14)3-4-10(9)15/h3-5H,6-7H2,1-2H3,(H,16,17)
InChIKeyKCCCEDXMVDZKLI-UHFFFAOYSA-N
MW294.61 g/mol
LogP3.99
Rot. Bonds4

About 2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide

2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide (PubChem CID 115364431) has the molecular formula C12H14Cl3NO and a molecular weight of 294.61 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
PubChem CID115364431
Molecular FormulaC12H14Cl3NO
Molecular Weight294.61 g/mol
Exact Mass293.01
IUPAC Name2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
SMILESCC(C)(CCl)CNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl3NO/c1-12(2,6-13)7-16-11(17)9-5-8(14)3-4-10(9)15/h3-5H,6-7H2,1-2H3,(H,16,17)
InChIKeyKCCCEDXMVDZKLI-UHFFFAOYSA-N
XLogP3.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.61
LogP ≤ 53.99
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

5-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide
CID 82890585
N-(3-bromo-2,2-dimethylpropyl)-2,5-dichlorobenzamide
CID 115364763
2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)benzamide
CID 106144748
4-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-hydroxybenzamide
CID 115364597
5-bromo-2-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 115364457
2-bromo-4-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 107994084
2,5-dichloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 103839782
5-chloro-N-(4-chloro-2,2-dimethylbutyl)-2-fluorobenzamide
CID 106143106
2,5-dichloro-N-(1,1-dideuterio-2-oxopropyl)benzamide
CID 159122733
5-chloro-N-(5-chloro-2,2-dimethylpentyl)-2-fluorobenzamide
CID 106144546
2,4-dichloro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65109953
2-amino-5-chloro-N-(2,2-dimethylbutyl)benzamide
CID 103459946

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide?
The IUPAC name of 2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide (CID 115364431) is 2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide is CC(C)(CCl)CNC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide?
The InChIKey is KCCCEDXMVDZKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl3NO/c1-12(2,6-13)7-16-11(17)9-5-8(14)3-4-10(9)15/h3-5H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide?
2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide has a molecular weight of 294.61 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide is sourced from PubChem (CID 115364431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).