N-(3-hydroxypropyl)-N'-(2,3,4-trifluorophenyl)oxamide

C11H11F3N2O3 — CID 47224594

IUPACN-(3-hydroxypropyl)-N'-(2,3,4-trifluorophenyl)oxamide
SMILESO=C(NCCCO)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C11H11F3N2O3/c12-6-2-3-7(9(14)8(6)13)16-11(19)10(18)15-4-1-5-17/h2-3,17H,1,4-5H2,(H,15,18)(H,16,19)
InChIKeyWXLFPCFYIDBCPU-UHFFFAOYSA-N
MW276.21 g/mol
LogP0.54
Rot. Bonds4

About N-(3-hydroxypropyl)-N'-(2,3,4-trifluorophenyl)oxamide

N-(3-hydroxypropyl)-N'-(2,3,4-trifluorophenyl)oxamide (PubChem CID 47224594) has the molecular formula C11H11F3N2O3 and a molecular weight of 276.21 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N'-(2,3,4-trifluorophenyl)oxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N'-(2,3,4-trifluorophenyl)oxamide
PubChem CID47224594
Molecular FormulaC11H11F3N2O3
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC NameN-(3-hydroxypropyl)-N'-(2,3,4-trifluorophenyl)oxamide
SMILESO=C(NCCCO)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C11H11F3N2O3/c12-6-2-3-7(9(14)8(6)13)16-11(19)10(18)15-4-1-5-17/h2-3,17H,1,4-5H2,(H,15,18)(H,16,19)
InChIKeyWXLFPCFYIDBCPU-UHFFFAOYSA-N
XLogP0.54
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N'-(4-chloro-2-fluorophenyl)-N-(5-hydroxypentyl)oxamide
CID 124624749
N-[2-(2-fluorophenyl)ethyl]-N'-(2,3,4-trifluorophenyl)oxamide
CID 108985301
3-(2,3,4-trifluoroanilino)propan-1-ol
CID 19609283
N'-(4-fluoro-3-methylphenyl)-N-(3-hydroxypropyl)oxamide
CID 110933503
N'-(4-fluoro-2-methylphenyl)-N-(5-hydroxypentyl)oxamide
CID 124624751
N'-(2,4-difluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide
CID 86995752
N'-propan-2-yl-N-(2,3,4-trifluorophenyl)oxamide
CID 47224066
N'-tert-butyl-N-(2,3,4-trifluorophenyl)oxamide
CID 108506939
2-oxo-2-(2-propanoylhydrazinyl)-N-(2,3,4-trifluorophenyl)acetamide
CID 86792649
N-(3-hydroxypropyl)-N'-naphthalen-1-yloxamide
CID 3102414
N-butyl-N'-(4-chloro-2-fluorophenyl)oxamide
CID 44999475
1-[2-(2-hydroxyethoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 108892530

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N'-(2,3,4-trifluorophenyl)oxamide?
The IUPAC name of N-(3-hydroxypropyl)-N'-(2,3,4-trifluorophenyl)oxamide (CID 47224594) is N-(3-hydroxypropyl)-N'-(2,3,4-trifluorophenyl)oxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N'-(2,3,4-trifluorophenyl)oxamide?
The canonical SMILES for N-(3-hydroxypropyl)-N'-(2,3,4-trifluorophenyl)oxamide is O=C(NCCCO)C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of N-(3-hydroxypropyl)-N'-(2,3,4-trifluorophenyl)oxamide?
The InChIKey is WXLFPCFYIDBCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3/c12-6-2-3-7(9(14)8(6)13)16-11(19)10(18)15-4-1-5-17/h2-3,17H,1,4-5H2,(H,15,18)(H,16,19).
What are the key properties of N-(3-hydroxypropyl)-N'-(2,3,4-trifluorophenyl)oxamide?
N-(3-hydroxypropyl)-N'-(2,3,4-trifluorophenyl)oxamide has a molecular weight of 276.21 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N'-(2,3,4-trifluorophenyl)oxamide is sourced from PubChem (CID 47224594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).