N-(2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide

C11H13FN2O3 — CID 47228940

IUPACN-(2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
SMILESCC(CO)NC(=O)C(=O)Nc1ccccc1F
InChIInChI=1S/C11H13FN2O3/c1-7(6-15)13-10(16)11(17)14-9-5-3-2-4-8(9)12/h2-5,7,15H,6H2,1H3,(H,13,16)(H,14,17)
InChIKeyPBTZWRLGTYWVPC-UHFFFAOYSA-N
MW240.23 g/mol
LogP0.26
Rot. Bonds3

About N-(2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide

N-(2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide (PubChem CID 47228940) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
PubChem CID47228940
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC NameN-(2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
SMILESCC(CO)NC(=O)C(=O)Nc1ccccc1F
InChIInChI=1S/C11H13FN2O3/c1-7(6-15)13-10(16)11(17)14-9-5-3-2-4-8(9)12/h2-5,7,15H,6H2,1H3,(H,13,16)(H,14,17)
InChIKeyPBTZWRLGTYWVPC-UHFFFAOYSA-N
XLogP0.26
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47457392
N-(3-fluoro-2-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 111521413
N-(2-fluorophenyl)-N'-propan-2-yloxamide
CID 2291553
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-chloro-4,5-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 111629756
N-(2-fluorophenyl)-N'-[(2S)-1-(3-methoxyphenyl)propan-2-yl]oxamide
CID 96532473
1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea
CID 727758
N-(2,4-difluorophenyl)-N'-[1-(2-fluorophenyl)propan-2-yl]oxamide
CID 86831524
N'-(2-fluorophenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514248
1-(1,3-dihydroxypropan-2-yl)-3-(2-fluorophenyl)urea
CID 5130491
N-(2-bromo-4-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47228982

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide?
The IUPAC name of N-(2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide (CID 47228940) is N-(2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide.
What is the SMILES notation for N-(2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide?
The canonical SMILES for N-(2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide is CC(CO)NC(=O)C(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide?
The InChIKey is PBTZWRLGTYWVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-7(6-15)13-10(16)11(17)14-9-5-3-2-4-8(9)12/h2-5,7,15H,6H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N-(2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide?
N-(2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide has a molecular weight of 240.23 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide is sourced from PubChem (CID 47228940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).