2-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-methylbenzamide

C13H17Cl2NO — CID 106863915

IUPAC2-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-methylbenzamide
SMILESCCC(C)(CCl)NC(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-4-13(3,8-14)16-12(17)10-6-5-9(2)7-11(10)15/h5-7H,4,8H2,1-3H3,(H,16,17)
InChIKeyRHSYXTVGCUGCSV-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.79
Rot. Bonds4

About 2-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-methylbenzamide

2-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-methylbenzamide (PubChem CID 106863915) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 2-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-methylbenzamide
PubChem CID106863915
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name2-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-methylbenzamide
SMILESCCC(C)(CCl)NC(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-4-13(3,8-14)16-12(17)10-6-5-9(2)7-11(10)15/h5-7H,4,8H2,1-3H3,(H,16,17)
InChIKeyRHSYXTVGCUGCSV-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
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-(1-chloro-2-methylbutan-2-yl)benzamide
CID 114303802
N-(1-bromo-3-methylpentan-3-yl)-2-chloro-4-methylbenzamide
CID 106169565
2-chloro-N-(1-chloro-2-methylbutan-2-yl)benzamide
CID 114303738
2-chloro-N-(1-chloro-2-methylbutan-2-yl)-5-hydroxybenzamide
CID 106503133
4-amino-2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64549490
N-(1-chloro-2-methylbutan-2-yl)-2,3,4-trifluorobenzamide
CID 114303732
N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide
CID 106168405
N-(1-chloro-2-methylbutan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 114303621
2-bromo-4-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)benzamide
CID 107994107
N-(1-chloro-2-methylbutan-2-yl)-2-fluorobenzamide
CID 114303803
3-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-iodobenzamide
CID 103212403
N-(1-bromo-2-phenylpropan-2-yl)-2-chloro-4-methylbenzamide
CID 106864081

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-methylbenzamide?
The IUPAC name of 2-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-methylbenzamide (CID 106863915) is 2-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-methylbenzamide is CCC(C)(CCl)NC(=O)c1ccc(C)cc1Cl.
What is the InChIKey of 2-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-methylbenzamide?
The InChIKey is RHSYXTVGCUGCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-4-13(3,8-14)16-12(17)10-6-5-9(2)7-11(10)15/h5-7H,4,8H2,1-3H3,(H,16,17).
What are the key properties of 2-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-methylbenzamide?
2-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-methylbenzamide has a molecular weight of 274.19 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-methylbenzamide is sourced from PubChem (CID 106863915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).