N'-(1-hydroxypentan-3-yl)-N-(2,4,6-trifluorophenyl)oxamide

C13H15F3N2O3 — CID 111798998

IUPACN'-(1-hydroxypentan-3-yl)-N-(2,4,6-trifluorophenyl)oxamide
SMILESCCC(CCO)NC(=O)C(=O)Nc1c(F)cc(F)cc1F
InChIInChI=1S/C13H15F3N2O3/c1-2-8(3-4-19)17-12(20)13(21)18-11-9(15)5-7(14)6-10(11)16/h5-6,8,19H,2-4H2,1H3,(H,17,20)(H,18,21)
InChIKeyGSFIALPOFBLYGY-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.32
Rot. Bonds5

About N'-(1-hydroxypentan-3-yl)-N-(2,4,6-trifluorophenyl)oxamide

N'-(1-hydroxypentan-3-yl)-N-(2,4,6-trifluorophenyl)oxamide (PubChem CID 111798998) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is N'-(1-hydroxypentan-3-yl)-N-(2,4,6-trifluorophenyl)oxamide.

Molecular Properties

Compound NameN'-(1-hydroxypentan-3-yl)-N-(2,4,6-trifluorophenyl)oxamide
PubChem CID111798998
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC NameN'-(1-hydroxypentan-3-yl)-N-(2,4,6-trifluorophenyl)oxamide
SMILESCCC(CCO)NC(=O)C(=O)Nc1c(F)cc(F)cc1F
InChIInChI=1S/C13H15F3N2O3/c1-2-8(3-4-19)17-12(20)13(21)18-11-9(15)5-7(14)6-10(11)16/h5-6,8,19H,2-4H2,1H3,(H,17,20)(H,18,21)
InChIKeyGSFIALPOFBLYGY-UHFFFAOYSA-N
XLogP1.32
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.32
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-(5-chloro-2-fluorophenyl)-N'-(1-hydroxypentan-3-yl)oxamide
CID 111799040
N'-(1-hydroxypentan-3-yl)-N-naphthalen-2-yloxamide
CID 111799046
2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)acetamide
CID 109479337
2,4-difluoro-N-(1-hydroxypentan-3-yl)-5-methylbenzamide
CID 109478990
2,2-difluoro-N-(1-hydroxypentan-3-yl)acetamide
CID 103513993
3-fluoro-N-(1-hydroxypentan-3-yl)-4-methoxybenzamide
CID 109478916
N'-[1-(furan-2-yl)-2-hydroxyethyl]-N-(2,4,6-trifluorophenyl)oxamide
CID 111799107
2,4,5-trifluoro-3-hydroxy-N-(1-hydroxypentan-3-yl)benzamide
CID 104580624
methyl 2-oxo-2-(2,4,6-trifluoroanilino)acetate
CID 112617383
N-(2-benzylphenyl)-N'-(1-hydroxypentan-3-yl)oxamide
CID 111799039
N-(2-bromo-4-fluorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 47224762
N-(2-fluorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide
CID 40714989

Frequently Asked Questions

What is the IUPAC name of N'-(1-hydroxypentan-3-yl)-N-(2,4,6-trifluorophenyl)oxamide?
The IUPAC name of N'-(1-hydroxypentan-3-yl)-N-(2,4,6-trifluorophenyl)oxamide (CID 111798998) is N'-(1-hydroxypentan-3-yl)-N-(2,4,6-trifluorophenyl)oxamide.
What is the SMILES notation for N'-(1-hydroxypentan-3-yl)-N-(2,4,6-trifluorophenyl)oxamide?
The canonical SMILES for N'-(1-hydroxypentan-3-yl)-N-(2,4,6-trifluorophenyl)oxamide is CCC(CCO)NC(=O)C(=O)Nc1c(F)cc(F)cc1F.
What is the InChIKey of N'-(1-hydroxypentan-3-yl)-N-(2,4,6-trifluorophenyl)oxamide?
The InChIKey is GSFIALPOFBLYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-2-8(3-4-19)17-12(20)13(21)18-11-9(15)5-7(14)6-10(11)16/h5-6,8,19H,2-4H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N'-(1-hydroxypentan-3-yl)-N-(2,4,6-trifluorophenyl)oxamide?
N'-(1-hydroxypentan-3-yl)-N-(2,4,6-trifluorophenyl)oxamide has a molecular weight of 304.27 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-hydroxypentan-3-yl)-N-(2,4,6-trifluorophenyl)oxamide is sourced from PubChem (CID 111798998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).