N'-tert-butyl-N-(2-chloro-4,6-dimethylphenyl)oxamide

C14H19ClN2O2 — CID 108506923

IUPACN'-tert-butyl-N-(2-chloro-4,6-dimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)NC(C)(C)C)c(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c1-8-6-9(2)11(10(15)7-8)16-12(18)13(19)17-14(3,4)5/h6-7H,1-5H3,(H,16,18)(H,17,19)
InChIKeySDGMPEBZUNOXCS-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.81
Rot. Bonds1

About N'-tert-butyl-N-(2-chloro-4,6-dimethylphenyl)oxamide

N'-tert-butyl-N-(2-chloro-4,6-dimethylphenyl)oxamide (PubChem CID 108506923) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N'-tert-butyl-N-(2-chloro-4,6-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN'-tert-butyl-N-(2-chloro-4,6-dimethylphenyl)oxamide
PubChem CID108506923
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN'-tert-butyl-N-(2-chloro-4,6-dimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)NC(C)(C)C)c(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c1-8-6-9(2)11(10(15)7-8)16-12(18)13(19)17-14(3,4)5/h6-7H,1-5H3,(H,16,18)(H,17,19)
InChIKeySDGMPEBZUNOXCS-UHFFFAOYSA-N
XLogP2.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-N-tert-butyl-1-N-(2-chloro-4,6-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109048521
(Z)-N-tert-butyl-3-(2-chloro-4,6-dimethylanilino)-2-cyanoprop-2-enamide
CID 108837919
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
N'-(2-chloro-4,6-dimethylphenyl)-N-(2,4-difluorophenyl)oxamide
CID 108532254
2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 81223490
N-(2-chloro-4,6-dimethylphenyl)-2-(methylamino)acetamide
CID 83537406
N'-(2-chloro-4,6-dimethylphenyl)-N-(2-methoxy-5-methylphenyl)oxamide
CID 108515624
N'-(2-chloro-4,6-dimethylphenyl)-N-(3-chloro-4-methoxyphenyl)oxamide
CID 108501287
N-(2-chloro-4,6-dimethylphenyl)-5-hydroxypentanamide
CID 79018968
N-(2-chloro-4,6-dimethylphenyl)-2,2,3,3-tetrafluoropropanamide
CID 113251859
N'-(2-chloro-4,6-dimethylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide
CID 108987161

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(2-chloro-4,6-dimethylphenyl)oxamide?
The IUPAC name of N'-tert-butyl-N-(2-chloro-4,6-dimethylphenyl)oxamide (CID 108506923) is N'-tert-butyl-N-(2-chloro-4,6-dimethylphenyl)oxamide.
What is the SMILES notation for N'-tert-butyl-N-(2-chloro-4,6-dimethylphenyl)oxamide?
The canonical SMILES for N'-tert-butyl-N-(2-chloro-4,6-dimethylphenyl)oxamide is Cc1cc(C)c(NC(=O)C(=O)NC(C)(C)C)c(Cl)c1.
What is the InChIKey of N'-tert-butyl-N-(2-chloro-4,6-dimethylphenyl)oxamide?
The InChIKey is SDGMPEBZUNOXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-8-6-9(2)11(10(15)7-8)16-12(18)13(19)17-14(3,4)5/h6-7H,1-5H3,(H,16,18)(H,17,19).
What are the key properties of N'-tert-butyl-N-(2-chloro-4,6-dimethylphenyl)oxamide?
N'-tert-butyl-N-(2-chloro-4,6-dimethylphenyl)oxamide has a molecular weight of 282.77 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(2-chloro-4,6-dimethylphenyl)oxamide is sourced from PubChem (CID 108506923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).