N'-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(4-hydroxy-2-methylbutyl)oxamide

C14H16F4N2O3 — CID 111491009

IUPACN'-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(4-hydroxy-2-methylbutyl)oxamide
SMILESCC(CCO)CNC(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H16F4N2O3/c1-8(4-5-21)7-19-12(22)13(23)20-9-2-3-11(15)10(6-9)14(16,17)18/h2-3,6,8,21H,4-5,7H2,1H3,(H,19,22)(H,20,23)
InChIKeyQLPYBVRITRGSMV-UHFFFAOYSA-N
MW336.29 g/mol
LogP1.92
Rot. Bonds5

About N'-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(4-hydroxy-2-methylbutyl)oxamide

N'-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(4-hydroxy-2-methylbutyl)oxamide (PubChem CID 111491009) has the molecular formula C14H16F4N2O3 and a molecular weight of 336.29 g/mol. Its IUPAC name is N'-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(4-hydroxy-2-methylbutyl)oxamide.

Molecular Properties

Compound NameN'-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(4-hydroxy-2-methylbutyl)oxamide
PubChem CID111491009
Molecular FormulaC14H16F4N2O3
Molecular Weight336.29 g/mol
Exact Mass336.11
IUPAC NameN'-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(4-hydroxy-2-methylbutyl)oxamide
SMILESCC(CCO)CNC(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H16F4N2O3/c1-8(4-5-21)7-19-12(22)13(23)20-9-2-3-11(15)10(6-9)14(16,17)18/h2-3,6,8,21H,4-5,7H2,1H3,(H,19,22)(H,20,23)
InChIKeyQLPYBVRITRGSMV-UHFFFAOYSA-N
XLogP1.92
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 51.92
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

methyl 2-[4-fluoro-3-(trifluoromethyl)anilino]-2-oxoacetate
CID 112616812
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(3-hydroxypropyl)urea
CID 60597825
1-(4-hydroxy-2-methylbutyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 66106705
N-(3-hydroxypropyl)-N'-[4-methyl-3-(trifluoromethyl)phenyl]oxamide
CID 110893263
1-(3-cyano-4-fluorophenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111474619
4-fluoro-N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 65037242
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 52774182
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylurea
CID 47456942
N-(4-hydroxy-2-methylbutyl)-N'-[2-(2,2,2-trifluoroethyl)phenyl]oxamide
CID 111490979
benzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid
CID 174945939
(2S)-2-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide
CID 79022999
N'-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide
CID 111521505

Frequently Asked Questions

What is the IUPAC name of N'-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(4-hydroxy-2-methylbutyl)oxamide?
The IUPAC name of N'-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(4-hydroxy-2-methylbutyl)oxamide (CID 111491009) is N'-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(4-hydroxy-2-methylbutyl)oxamide.
What is the SMILES notation for N'-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(4-hydroxy-2-methylbutyl)oxamide?
The canonical SMILES for N'-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(4-hydroxy-2-methylbutyl)oxamide is CC(CCO)CNC(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N'-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(4-hydroxy-2-methylbutyl)oxamide?
The InChIKey is QLPYBVRITRGSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N2O3/c1-8(4-5-21)7-19-12(22)13(23)20-9-2-3-11(15)10(6-9)14(16,17)18/h2-3,6,8,21H,4-5,7H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N'-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(4-hydroxy-2-methylbutyl)oxamide?
N'-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(4-hydroxy-2-methylbutyl)oxamide has a molecular weight of 336.29 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(4-hydroxy-2-methylbutyl)oxamide is sourced from PubChem (CID 111491009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).