N-(2-fluorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide

C12H15FN2O3 — CID 40714989

IUPACN-(2-fluorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide
SMILESCC[C@H](CO)NC(=O)C(=O)Nc1ccccc1F
InChIInChI=1S/C12H15FN2O3/c1-2-8(7-16)14-11(17)12(18)15-10-6-4-3-5-9(10)13/h3-6,8,16H,2,7H2,1H3,(H,14,17)(H,15,18)/t8-/m1/s1
InChIKeyDVLMWYYFKXYECD-MRVPVSSYSA-N
MW254.26 g/mol
LogP0.65
Rot. Bonds4

About N-(2-fluorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide

N-(2-fluorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide (PubChem CID 40714989) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide
PubChem CID40714989
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC NameN-(2-fluorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide
SMILESCC[C@H](CO)NC(=O)C(=O)Nc1ccccc1F
InChIInChI=1S/C12H15FN2O3/c1-2-8(7-16)14-11(17)12(18)15-10-6-4-3-5-9(10)13/h3-6,8,16H,2,7H2,1H3,(H,14,17)(H,15,18)/t8-/m1/s1
InChIKeyDVLMWYYFKXYECD-MRVPVSSYSA-N
XLogP0.65
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.65
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-[2-fluoro-5-(trifluoromethyl)phenyl]-N'-(1-hydroxybutan-2-yl)oxamide
CID 110930863
N-(2-fluorophenyl)-N'-propan-2-yloxamide
CID 2291553
1-(1,3-dihydroxypropan-2-yl)-3-(2-fluorophenyl)urea
CID 5130491
1-(2,3-difluorophenyl)-3-(1-hydroxybutan-2-yl)urea
CID 110908511
N-(2-bromo-4-fluorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 47224762
N-(2,4-dichlorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 108502845
N-(5-chloro-2-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 45000896
2-(2-fluoroanilino)-N-pentan-3-ylacetamide
CID 60671369
1-(1-aminobutan-2-yl)-3-(2-fluorophenyl)urea
CID 63767489
N-(2,3-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47457392
N-(2,4-difluorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide
CID 111798025

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide?
The IUPAC name of N-(2-fluorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide (CID 40714989) is N-(2-fluorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide.
What is the SMILES notation for N-(2-fluorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide?
The canonical SMILES for N-(2-fluorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide is CC[C@H](CO)NC(=O)C(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide?
The InChIKey is DVLMWYYFKXYECD-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-2-8(7-16)14-11(17)12(18)15-10-6-4-3-5-9(10)13/h3-6,8,16H,2,7H2,1H3,(H,14,17)(H,15,18)/t8-/m1/s1.
What are the key properties of N-(2-fluorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide?
N-(2-fluorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide has a molecular weight of 254.26 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide is sourced from PubChem (CID 40714989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).