N'-tert-butyl-N-(5-chloro-2-hydroxyphenyl)-N'-ethyloxamide

C14H19ClN2O3 — CID 108519777

IUPACN'-tert-butyl-N-(5-chloro-2-hydroxyphenyl)-N'-ethyloxamide
SMILESCCN(C(=O)C(=O)Nc1cc(Cl)ccc1O)C(C)(C)C
InChIInChI=1S/C14H19ClN2O3/c1-5-17(14(2,3)4)13(20)12(19)16-10-8-9(15)6-7-11(10)18/h6-8,18H,5H2,1-4H3,(H,16,19)
InChIKeyTUZBXKACVCYCGR-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.63
Rot. Bonds2

About N'-tert-butyl-N-(5-chloro-2-hydroxyphenyl)-N'-ethyloxamide

N'-tert-butyl-N-(5-chloro-2-hydroxyphenyl)-N'-ethyloxamide (PubChem CID 108519777) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is N'-tert-butyl-N-(5-chloro-2-hydroxyphenyl)-N'-ethyloxamide.

Molecular Properties

Compound NameN'-tert-butyl-N-(5-chloro-2-hydroxyphenyl)-N'-ethyloxamide
PubChem CID108519777
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC NameN'-tert-butyl-N-(5-chloro-2-hydroxyphenyl)-N'-ethyloxamide
SMILESCCN(C(=O)C(=O)Nc1cc(Cl)ccc1O)C(C)(C)C
InChIInChI=1S/C14H19ClN2O3/c1-5-17(14(2,3)4)13(20)12(19)16-10-8-9(15)6-7-11(10)18/h6-8,18H,5H2,1-4H3,(H,16,19)
InChIKeyTUZBXKACVCYCGR-UHFFFAOYSA-N
XLogP2.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-hydroxyphenyl)-N',N'-dipropyloxamide
CID 108519738
N-(2,5-dichlorophenyl)-N',N'-diethyloxamide
CID 39370052
N'-(5-chloro-2-hydroxyphenyl)-N-(4-chlorophenyl)oxamide
CID 108516598
N'-tert-butyl-N-(2,6-dimethylphenyl)-N'-ethyloxamide
CID 108531366
4-chloro-2-(ethylamino)phenol
CID 15847212
N-(5-chloro-2-hydroxyphenyl)-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519080
N'-(5-chloro-2-hydroxyphenyl)-N-(2-methoxyethyl)oxamide
CID 108504969
(E)-4-(5-chloro-2-hydroxyanilino)-1,1,1-trifluoropent-3-en-2-one
CID 177486679
N'-(5-chloro-2-hydroxyphenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 108519764
1-N,3-N,5-N-tris(5-chloro-2-hydroxyphenyl)benzene-1,3,5-tricarboxamide
CID 57074099
4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-(diethylsulfamoyl)benzamide
CID 56581135
N-(5-chloro-2-hydroxyphenyl)-2-(4-chlorophenyl)acetamide
CID 1262869

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(5-chloro-2-hydroxyphenyl)-N'-ethyloxamide?
The IUPAC name of N'-tert-butyl-N-(5-chloro-2-hydroxyphenyl)-N'-ethyloxamide (CID 108519777) is N'-tert-butyl-N-(5-chloro-2-hydroxyphenyl)-N'-ethyloxamide.
What is the SMILES notation for N'-tert-butyl-N-(5-chloro-2-hydroxyphenyl)-N'-ethyloxamide?
The canonical SMILES for N'-tert-butyl-N-(5-chloro-2-hydroxyphenyl)-N'-ethyloxamide is CCN(C(=O)C(=O)Nc1cc(Cl)ccc1O)C(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-(5-chloro-2-hydroxyphenyl)-N'-ethyloxamide?
The InChIKey is TUZBXKACVCYCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-5-17(14(2,3)4)13(20)12(19)16-10-8-9(15)6-7-11(10)18/h6-8,18H,5H2,1-4H3,(H,16,19).
What are the key properties of N'-tert-butyl-N-(5-chloro-2-hydroxyphenyl)-N'-ethyloxamide?
N'-tert-butyl-N-(5-chloro-2-hydroxyphenyl)-N'-ethyloxamide has a molecular weight of 298.77 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(5-chloro-2-hydroxyphenyl)-N'-ethyloxamide is sourced from PubChem (CID 108519777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).