N-tert-butyl-3,4-dichlorobenzamide

C11H13Cl2NO — CID 790280

IUPACN-tert-butyl-3,4-dichlorobenzamide
SMILESCC(C)(C)NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2NO/c1-11(2,3)14-10(15)7-4-5-8(12)9(13)6-7/h4-6H,1-3H3,(H,14,15)
InChIKeyDRRHRGANNZZVHF-UHFFFAOYSA-N
MW246.14 g/mol
LogP3.52
Rot. Bonds1

About N-tert-butyl-3,4-dichlorobenzamide

N-tert-butyl-3,4-dichlorobenzamide (PubChem CID 790280) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is N-tert-butyl-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-tert-butyl-3,4-dichlorobenzamide
PubChem CID790280
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC NameN-tert-butyl-3,4-dichlorobenzamide
SMILESCC(C)(C)NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2NO/c1-11(2,3)14-10(15)7-4-5-8(12)9(13)6-7/h4-6H,1-3H3,(H,14,15)
InChIKeyDRRHRGANNZZVHF-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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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,4-dichlorobenzamide?
The IUPAC name of N-tert-butyl-3,4-dichlorobenzamide (CID 790280) is N-tert-butyl-3,4-dichlorobenzamide.
What is the SMILES notation for N-tert-butyl-3,4-dichlorobenzamide?
The canonical SMILES for N-tert-butyl-3,4-dichlorobenzamide is CC(C)(C)NC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-tert-butyl-3,4-dichlorobenzamide?
The InChIKey is DRRHRGANNZZVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c1-11(2,3)14-10(15)7-4-5-8(12)9(13)6-7/h4-6H,1-3H3,(H,14,15).
What are the key properties of N-tert-butyl-3,4-dichlorobenzamide?
N-tert-butyl-3,4-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-3,4-dichlorobenzamide is sourced from PubChem (CID 790280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).