N-(3-fluoro-2-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide

C12H15FN2O3 — CID 111521413

IUPACN-(3-fluoro-2-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide
SMILESCc1c(F)cccc1NC(=O)C(=O)NC(C)CO
InChIInChI=1S/C12H15FN2O3/c1-7(6-16)14-11(17)12(18)15-10-5-3-4-9(13)8(10)2/h3-5,7,16H,6H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyCUBFEZWSUGOWQN-UHFFFAOYSA-N
MW254.26 g/mol
LogP0.57
Rot. Bonds3

About N-(3-fluoro-2-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide

N-(3-fluoro-2-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide (PubChem CID 111521413) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is N-(3-fluoro-2-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide.

Molecular Properties

Compound NameN-(3-fluoro-2-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide
PubChem CID111521413
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC NameN-(3-fluoro-2-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide
SMILESCc1c(F)cccc1NC(=O)C(=O)NC(C)CO
InChIInChI=1S/C12H15FN2O3/c1-7(6-16)14-11(17)12(18)15-10-5-3-4-9(13)8(10)2/h3-5,7,16H,6H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyCUBFEZWSUGOWQN-UHFFFAOYSA-N
XLogP0.57
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.57
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-(2,3-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47457392
N-(2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47228940
2,2-difluoro-N-(3-fluoro-2-methylphenyl)acetamide
CID 103515626
1-(2,3-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890295
N-(2-chloro-4,5-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 111629756
N-(2-tert-butylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47228973
1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111521359
N-(3-fluoro-2-methylphenyl)-4-hydroxypentanamide
CID 79192494
N-(2-fluorophenyl)-N'-propan-2-yloxamide
CID 2291553
N-(2-fluorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide
CID 40714989
4-(3-fluoro-2-methylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498147
3-amino-N-(3-fluoro-2-methylphenyl)-3-methylbutanamide
CID 64678036

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide?
The IUPAC name of N-(3-fluoro-2-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide (CID 111521413) is N-(3-fluoro-2-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide.
What is the SMILES notation for N-(3-fluoro-2-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide?
The canonical SMILES for N-(3-fluoro-2-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide is Cc1c(F)cccc1NC(=O)C(=O)NC(C)CO.
What is the InChIKey of N-(3-fluoro-2-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide?
The InChIKey is CUBFEZWSUGOWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-7(6-16)14-11(17)12(18)15-10-5-3-4-9(13)8(10)2/h3-5,7,16H,6H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of N-(3-fluoro-2-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide?
N-(3-fluoro-2-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide has a molecular weight of 254.26 g/mol, XLogP of 0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide is sourced from PubChem (CID 111521413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).