N-(2,3-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide

C11H12F2N2O3 — CID 47457392

IUPACN-(2,3-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
SMILESCC(CO)NC(=O)C(=O)Nc1cccc(F)c1F
InChIInChI=1S/C11H12F2N2O3/c1-6(5-16)14-10(17)11(18)15-8-4-2-3-7(12)9(8)13/h2-4,6,16H,5H2,1H3,(H,14,17)(H,15,18)
InChIKeyDMWFRXZHGGQYJI-UHFFFAOYSA-N
MW258.22 g/mol
LogP0.40
Rot. Bonds3

About N-(2,3-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide

N-(2,3-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide (PubChem CID 47457392) has the molecular formula C11H12F2N2O3 and a molecular weight of 258.22 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
PubChem CID47457392
Molecular FormulaC11H12F2N2O3
Molecular Weight258.22 g/mol
Exact Mass258.08
IUPAC NameN-(2,3-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
SMILESCC(CO)NC(=O)C(=O)Nc1cccc(F)c1F
InChIInChI=1S/C11H12F2N2O3/c1-6(5-16)14-10(17)11(18)15-8-4-2-3-7(12)9(8)13/h2-4,6,16H,5H2,1H3,(H,14,17)(H,15,18)
InChIKeyDMWFRXZHGGQYJI-UHFFFAOYSA-N
XLogP0.40
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 50.40
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-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47228940
N-(3-fluoro-2-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 111521413
N-(2,3-difluorophenyl)-N'-[1-(2,4-difluorophenyl)ethyl]oxamide
CID 86856670
N-(2-chloro-4,5-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 111629756
1-(2,3-difluorophenyl)-3-(1-hydroxybutan-2-yl)urea
CID 110908511
N-(2-fluorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide
CID 40714989
N-(2-tert-butylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47228973
N-(2-fluorophenyl)-N'-propan-2-yloxamide
CID 2291553
N-(2,3-difluorophenyl)-N'-[(4-methylphenyl)-phenylmethyl]oxamide
CID 86856671
N'-propan-2-yl-N-(2,3,4-trifluorophenyl)oxamide
CID 47224066
N-(2,3-difluorophenyl)-4-hydroxypentanamide
CID 79193547
N'-(1-hydroxypropan-2-yl)-N-methyloxamide
CID 130666774

Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide?
The IUPAC name of N-(2,3-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide (CID 47457392) is N-(2,3-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide.
What is the SMILES notation for N-(2,3-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide?
The canonical SMILES for N-(2,3-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide is CC(CO)NC(=O)C(=O)Nc1cccc(F)c1F.
What is the InChIKey of N-(2,3-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide?
The InChIKey is DMWFRXZHGGQYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O3/c1-6(5-16)14-10(17)11(18)15-8-4-2-3-7(12)9(8)13/h2-4,6,16H,5H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N-(2,3-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide?
N-(2,3-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide has a molecular weight of 258.22 g/mol, XLogP of 0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide is sourced from PubChem (CID 47457392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).