N-tert-butyl-2,6-dichlorobenzamide

C11H13Cl2NO — CID 690474

IUPACN-tert-butyl-2,6-dichlorobenzamide
SMILESCC(C)(C)NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2NO/c1-11(2,3)14-10(15)9-7(12)5-4-6-8(9)13/h4-6H,1-3H3,(H,14,15)
InChIKeyYIGIWHGUKZVIHI-UHFFFAOYSA-N
MW246.14 g/mol
LogP3.52
Rot. Bonds1

About N-tert-butyl-2,6-dichlorobenzamide

N-tert-butyl-2,6-dichlorobenzamide (PubChem CID 690474) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is N-tert-butyl-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-tert-butyl-2,6-dichlorobenzamide
PubChem CID690474
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC NameN-tert-butyl-2,6-dichlorobenzamide
SMILESCC(C)(C)NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2NO/c1-11(2,3)14-10(15)9-7(12)5-4-6-8(9)13/h4-6H,1-3H3,(H,14,15)
InChIKeyYIGIWHGUKZVIHI-UHFFFAOYSA-N
XLogP3.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2,3-dichlorobenzamide
CID 60643074
3-[(2,6-dichlorobenzoyl)amino]-3-methylbutanoic acid
CID 64670872
1-N,2-N,3-N-tritert-butylbenzene-1,2,3-tricarboxamide
CID 141065547
2,6-dichloro-N-(2-pyridin-4-ylpropan-2-yl)benzamide
CID 3526878
N-tert-butyl-4-(2-chlorophenyl)benzamide
CID 174761661
2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-tert-butyl-6-chlorobenzamide
CID 73230510
1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide
CID 141420303
3-N-tert-butyl-1-N-[(2-chlorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054733
2,6-dichloro-N-(4-methylphenyl)benzamide
CID 5152296
2,6-dihydroxy-N-(2-methylbut-3-yn-2-yl)benzamide
CID 107689396
2,6-dichloro-N-(trifluoromethylsulfonyl)benzamide
CID 134087949
2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,6-dichlorobenzamide?
The IUPAC name of N-tert-butyl-2,6-dichlorobenzamide (CID 690474) is N-tert-butyl-2,6-dichlorobenzamide.
What is the SMILES notation for N-tert-butyl-2,6-dichlorobenzamide?
The canonical SMILES for N-tert-butyl-2,6-dichlorobenzamide is CC(C)(C)NC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of N-tert-butyl-2,6-dichlorobenzamide?
The InChIKey is YIGIWHGUKZVIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c1-11(2,3)14-10(15)9-7(12)5-4-6-8(9)13/h4-6H,1-3H3,(H,14,15).
What are the key properties of N-tert-butyl-2,6-dichlorobenzamide?
N-tert-butyl-2,6-dichlorobenzamide has a molecular weight of 246.14 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,6-dichlorobenzamide is sourced from PubChem (CID 690474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).