5-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide

C13H17Cl2NO — CID 82890585

IUPAC5-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NCC(C)(C)CCl
InChIInChI=1S/C13H17Cl2NO/c1-9-4-5-10(15)6-11(9)12(17)16-8-13(2,3)7-14/h4-6H,7-8H2,1-3H3,(H,16,17)
InChIKeyBRIQJMFTRIVUKY-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.64
Rot. Bonds4

About 5-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide

5-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide (PubChem CID 82890585) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 5-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide
PubChem CID82890585
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name5-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NCC(C)(C)CCl
InChIInChI=1S/C13H17Cl2NO/c1-9-4-5-10(15)6-11(9)12(17)16-8-13(2,3)7-14/h4-6H,7-8H2,1-3H3,(H,16,17)
InChIKeyBRIQJMFTRIVUKY-UHFFFAOYSA-N
XLogP3.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.64
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

2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 115364431
5-bromo-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide
CID 115364480
4-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-hydroxybenzamide
CID 115364597
2-bromo-4-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 107994084
5-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
CID 103842862
5-chloro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 115532800
1-(5-chloro-2-methylphenyl)-2,2,2-triiodoethanone
CID 169225432
N-(3-bromo-2,2-dimethylpropyl)-2,5-dichlorobenzamide
CID 115364763
4-bromo-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide
CID 115364523
5-chloro-N-(4-chloro-2,2-dimethylbutyl)-2-fluorobenzamide
CID 106143106
4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 103899859
2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)benzamide
CID 106144748

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide?
The IUPAC name of 5-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide (CID 82890585) is 5-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide.
What is the SMILES notation for 5-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide?
The canonical SMILES for 5-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide is Cc1ccc(Cl)cc1C(=O)NCC(C)(C)CCl.
What is the InChIKey of 5-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide?
The InChIKey is BRIQJMFTRIVUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-9-4-5-10(15)6-11(9)12(17)16-8-13(2,3)7-14/h4-6H,7-8H2,1-3H3,(H,16,17).
What are the key properties of 5-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide?
5-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide has a molecular weight of 274.19 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide is sourced from PubChem (CID 82890585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).