N'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide

C15H21FN2O3 — CID 111491170

IUPACN'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC(C)(C)CCO)c(F)c1
InChIInChI=1S/C15H21FN2O3/c1-10-4-5-12(11(16)8-10)18-14(21)13(20)17-9-15(2,3)6-7-19/h4-5,8,19H,6-7,9H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyOHBOCNQCYRXZKD-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.60
Rot. Bonds5

About N'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide

N'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide (PubChem CID 111491170) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is N'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide.

Molecular Properties

Compound NameN'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
PubChem CID111491170
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC NameN'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC(C)(C)CCO)c(F)c1
InChIInChI=1S/C15H21FN2O3/c1-10-4-5-12(11(16)8-10)18-14(21)13(20)17-9-15(2,3)6-7-19/h4-5,8,19H,6-7,9H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyOHBOCNQCYRXZKD-UHFFFAOYSA-N
XLogP1.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.60
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'-(2-fluoro-4-methylphenyl)-N-(2-hydroxy-2-propylpentyl)oxamide
CID 111439190
1-(4-bromo-2-fluorophenyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111472928
N-(4-hydroxy-2,2-dimethylbutyl)-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 111491182
N'-(2-bromophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
CID 111491139
N'-[2-fluoro-5-(furan-2-yl)phenyl]-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
CID 111491156
N'-(2-fluoro-4-methylphenyl)-N-(3-hydroxybutyl)oxamide
CID 111337534
N-(2-fluoro-4-methylphenyl)-2,2-dimethylpropanamide
CID 24898894
N'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide
CID 111456252
N'-(4-bromophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
CID 111491144
2-chloro-N-(2-fluoro-4-methylphenyl)acetamide
CID 2497550
N'-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
CID 111491126
N-(2-ethyl-2-hydroxybutyl)-N'-(2-fluoro-5-methylphenyl)oxamide
CID 48894696

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide?
The IUPAC name of N'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide (CID 111491170) is N'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide.
What is the SMILES notation for N'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide?
The canonical SMILES for N'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide is Cc1ccc(NC(=O)C(=O)NCC(C)(C)CCO)c(F)c1.
What is the InChIKey of N'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide?
The InChIKey is OHBOCNQCYRXZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-10-4-5-12(11(16)8-10)18-14(21)13(20)17-9-15(2,3)6-7-19/h4-5,8,19H,6-7,9H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of N'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide?
N'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide has a molecular weight of 296.34 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide is sourced from PubChem (CID 111491170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).