N-tert-butyl-2,3-dichlorobenzamide

C11H13Cl2NO — CID 60643074

IUPACN-tert-butyl-2,3-dichlorobenzamide
SMILESCC(C)(C)NC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H13Cl2NO/c1-11(2,3)14-10(15)7-5-4-6-8(12)9(7)13/h4-6H,1-3H3,(H,14,15)
InChIKeyCJDRROQVOXQEQA-UHFFFAOYSA-N
MW246.14 g/mol
LogP3.52
Rot. Bonds1

About N-tert-butyl-2,3-dichlorobenzamide

N-tert-butyl-2,3-dichlorobenzamide (PubChem CID 60643074) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is N-tert-butyl-2,3-dichlorobenzamide.

Molecular Properties

Compound NameN-tert-butyl-2,3-dichlorobenzamide
PubChem CID60643074
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC NameN-tert-butyl-2,3-dichlorobenzamide
SMILESCC(C)(C)NC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H13Cl2NO/c1-11(2,3)14-10(15)7-5-4-6-8(12)9(7)13/h4-6H,1-3H3,(H,14,15)
InChIKeyCJDRROQVOXQEQA-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-2,6-dichlorobenzamide
CID 690474
2,3-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 107844859
1-N,2-N,3-N-tritert-butylbenzene-1,2,3-tricarboxamide
CID 141065547
2,3-dichloro-N-sulfanylbenzamide
CID 71773851
(2S)-2-[(2,3-dichlorobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61145041
1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide
CID 141420303
2,3-dichloro-N-ethylbenzamide;methane
CID 158305709
2,3-dichloro-N-[(2S)-2-hydroxy-2-methylbutyl]benzamide
CID 95776247
N-tert-butyl-2-hydroxybenzamide
CID 139189948
tert-butyl (2R)-2-[(2,3-dichlorobenzoyl)amino]propanoate
CID 81003606
2,3-dichloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide
CID 114177852
2,3-dichloro-N-phenylbenzamide
CID 7732866

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,3-dichlorobenzamide?
The IUPAC name of N-tert-butyl-2,3-dichlorobenzamide (CID 60643074) is N-tert-butyl-2,3-dichlorobenzamide.
What is the SMILES notation for N-tert-butyl-2,3-dichlorobenzamide?
The canonical SMILES for N-tert-butyl-2,3-dichlorobenzamide is CC(C)(C)NC(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of N-tert-butyl-2,3-dichlorobenzamide?
The InChIKey is CJDRROQVOXQEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c1-11(2,3)14-10(15)7-5-4-6-8(12)9(7)13/h4-6H,1-3H3,(H,14,15).
What are the key properties of N-tert-butyl-2,3-dichlorobenzamide?
N-tert-butyl-2,3-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-2,3-dichlorobenzamide is sourced from PubChem (CID 60643074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).