2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)benzamide

C14H18Cl3NO — CID 106144748

IUPAC2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)benzamide
SMILESCC(C)(CCCCl)CNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H18Cl3NO/c1-14(2,6-3-7-15)9-18-13(19)11-8-10(16)4-5-12(11)17/h4-5,8H,3,6-7,9H2,1-2H3,(H,18,19)
InChIKeyUNPCIJGZPWNGHT-UHFFFAOYSA-N
MW322.66 g/mol
LogP4.77
Rot. Bonds6

About 2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)benzamide

2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)benzamide (PubChem CID 106144748) has the molecular formula C14H18Cl3NO and a molecular weight of 322.66 g/mol. Its IUPAC name is 2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)benzamide
PubChem CID106144748
Molecular FormulaC14H18Cl3NO
Molecular Weight322.66 g/mol
Exact Mass321.05
IUPAC Name2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)benzamide
SMILESCC(C)(CCCCl)CNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H18Cl3NO/c1-14(2,6-3-7-15)9-18-13(19)11-8-10(16)4-5-12(11)17/h4-5,8H,3,6-7,9H2,1-2H3,(H,18,19)
InChIKeyUNPCIJGZPWNGHT-UHFFFAOYSA-N
XLogP4.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.66
LogP ≤ 54.77
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-(5-chloro-2,2-dimethylpentyl)-2-fluorobenzamide
CID 106144546
2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 115364431
N-(3-bromo-2,2-dimethylpropyl)-2,5-dichlorobenzamide
CID 115364763
5-chloro-N-(4-chloro-2,2-dimethylbutyl)-2-fluorobenzamide
CID 106143106
N-(5-chloro-2,2-dimethylpentyl)-2,5-difluorobenzamide
CID 106144423
2-bromo-5-chloro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 103899354
2-chloro-5-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 106141392
2-bromo-5-chloro-N-(4-methoxy-2,2-dimethylbutyl)benzamide
CID 104625413
4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 103899859
2-bromo-N-(5-chloro-2,2-dimethylpentyl)-5-methylbenzamide
CID 106144084
5-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide
CID 82890585
5-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-hydroxybenzamide
CID 114149605

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)benzamide?
The IUPAC name of 2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)benzamide (CID 106144748) is 2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)benzamide is CC(C)(CCCCl)CNC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)benzamide?
The InChIKey is UNPCIJGZPWNGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl3NO/c1-14(2,6-3-7-15)9-18-13(19)11-8-10(16)4-5-12(11)17/h4-5,8H,3,6-7,9H2,1-2H3,(H,18,19).
What are the key properties of 2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)benzamide?
2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)benzamide has a molecular weight of 322.66 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)benzamide is sourced from PubChem (CID 106144748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).