N-tert-butyl-2,6-dichloro-N-oxidobenzamide

C11H12Cl2NO2- — CID 20515116

IUPACN-tert-butyl-2,6-dichloro-N-oxidobenzamide
SMILESCC(C)(C)N([O-])C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H12Cl2NO2/c1-11(2,3)14(16)10(15)9-7(12)5-4-6-8(9)13/h4-6H,1-3H3/q-1
InChIKeyILSBPKOBYHONQK-UHFFFAOYSA-N
MW261.13 g/mol
LogP3.73
Rot. Bonds1

About N-tert-butyl-2,6-dichloro-N-oxidobenzamide

N-tert-butyl-2,6-dichloro-N-oxidobenzamide (PubChem CID 20515116) has the molecular formula C11H12Cl2NO2- and a molecular weight of 261.13 g/mol. Its IUPAC name is N-tert-butyl-2,6-dichloro-N-oxidobenzamide.

Molecular Properties

Compound NameN-tert-butyl-2,6-dichloro-N-oxidobenzamide
PubChem CID20515116
Molecular FormulaC11H12Cl2NO2-
Molecular Weight261.13 g/mol
Exact Mass260.03
IUPAC NameN-tert-butyl-2,6-dichloro-N-oxidobenzamide
SMILESCC(C)(C)N([O-])C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H12Cl2NO2/c1-11(2,3)14(16)10(15)9-7(12)5-4-6-8(9)13/h4-6H,1-3H3/q-1
InChIKeyILSBPKOBYHONQK-UHFFFAOYSA-N
XLogP3.73
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.13
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2-chloro-N-methyl-6-trimethylsilylbenzamide
CID 18630046
N,N-bis[(2R)-butan-2-yl]-2,6-dichlorobenzamide
CID 903787
N-tert-butyl-2,6-dichlorobenzamide
CID 690474
methyl 2-[(2,6-dichlorobenzoyl)-methylamino]acetate
CID 43422763
N-(1-bromopropan-2-yl)-2,6-dichloro-N-methylbenzamide
CID 104556293
2,6-dichloro-N,N-dicyclohexylbenzamide
CID 3555098
CID 11251659
CID 11251659
2-chloro-N-ethyl-6-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79381925
methyl 2-[(2,6-dichlorobenzoyl)-propan-2-ylamino]acetate
CID 55005992
N-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 43458410
N-[(2-bromophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 60630835
2,6-dichlorobenzamide;hydrochloride
CID 172775002

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,6-dichloro-N-oxidobenzamide?
The IUPAC name of N-tert-butyl-2,6-dichloro-N-oxidobenzamide (CID 20515116) is N-tert-butyl-2,6-dichloro-N-oxidobenzamide.
What is the SMILES notation for N-tert-butyl-2,6-dichloro-N-oxidobenzamide?
The canonical SMILES for N-tert-butyl-2,6-dichloro-N-oxidobenzamide is CC(C)(C)N([O-])C(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of N-tert-butyl-2,6-dichloro-N-oxidobenzamide?
The InChIKey is ILSBPKOBYHONQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2NO2/c1-11(2,3)14(16)10(15)9-7(12)5-4-6-8(9)13/h4-6H,1-3H3/q-1.
What are the key properties of N-tert-butyl-2,6-dichloro-N-oxidobenzamide?
N-tert-butyl-2,6-dichloro-N-oxidobenzamide has a molecular weight of 261.13 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,6-dichloro-N-oxidobenzamide is sourced from PubChem (CID 20515116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).