N'-(2,6-difluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide

C15H20F2N2O3 — CID 111490747

IUPACN'-(2,6-difluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
SMILESCC(O)CC(C)(C)CNC(=O)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C15H20F2N2O3/c1-9(20)7-15(2,3)8-18-13(21)14(22)19-12-10(16)5-4-6-11(12)17/h4-6,9,20H,7-8H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyVLWGWCQEROEQEK-UHFFFAOYSA-N
MW314.33 g/mol
LogP1.82
Rot. Bonds5

About N'-(2,6-difluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide

N'-(2,6-difluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide (PubChem CID 111490747) has the molecular formula C15H20F2N2O3 and a molecular weight of 314.33 g/mol. Its IUPAC name is N'-(2,6-difluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide.

Molecular Properties

Compound NameN'-(2,6-difluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
PubChem CID111490747
Molecular FormulaC15H20F2N2O3
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC NameN'-(2,6-difluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
SMILESCC(O)CC(C)(C)CNC(=O)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C15H20F2N2O3/c1-9(20)7-15(2,3)8-18-13(21)14(22)19-12-10(16)5-4-6-11(12)17/h4-6,9,20H,7-8H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyVLWGWCQEROEQEK-UHFFFAOYSA-N
XLogP1.82
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxy-2,2-dimethylpentyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 111490713
N'-(4-fluoro-2-methylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490740
N-(4-hydroxy-2,2-dimethylpentyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 111490720
N'-(2,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490749
N'-(3,4-dimethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490702
1-(3-chloro-2-fluorophenyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111473330
2-(2-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
CID 111480362
N'-(2,6-difluorophenyl)-N-methyloxamide
CID 47224850
1-(4-hydroxy-2,2-dimethylpentyl)-3-(3,4,5-trifluorophenyl)urea
CID 111475074
N-(3-chloropropyl)-N'-(2,6-difluorophenyl)oxamide
CID 108513680
7-fluoro-N-(4-hydroxy-2,2-dimethylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111480596
1-(4-hydroxy-2,2-dimethylpentyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 111472761

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-difluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide?
The IUPAC name of N'-(2,6-difluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide (CID 111490747) is N'-(2,6-difluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide.
What is the SMILES notation for N'-(2,6-difluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide?
The canonical SMILES for N'-(2,6-difluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide is CC(O)CC(C)(C)CNC(=O)C(=O)Nc1c(F)cccc1F.
What is the InChIKey of N'-(2,6-difluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide?
The InChIKey is VLWGWCQEROEQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3/c1-9(20)7-15(2,3)8-18-13(21)14(22)19-12-10(16)5-4-6-11(12)17/h4-6,9,20H,7-8H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N'-(2,6-difluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide?
N'-(2,6-difluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide has a molecular weight of 314.33 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-difluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide is sourced from PubChem (CID 111490747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).