N-(2,4-difluorophenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide

C15H12F2N2O3 — CID 108528497

IUPACN-(2,4-difluorophenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
SMILESCN(C(=O)C(=O)Nc1ccc(F)cc1F)c1ccc(O)cc1
InChIInChI=1S/C15H12F2N2O3/c1-19(10-3-5-11(20)6-4-10)15(22)14(21)18-13-7-2-9(16)8-12(13)17/h2-8,20H,1H3,(H,18,21)
InChIKeyLAYSGJMXJFCCKC-UHFFFAOYSA-N
MW306.27 g/mol
LogP2.27
Rot. Bonds2

About N-(2,4-difluorophenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide

N-(2,4-difluorophenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide (PubChem CID 108528497) has the molecular formula C15H12F2N2O3 and a molecular weight of 306.27 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
PubChem CID108528497
Molecular FormulaC15H12F2N2O3
Molecular Weight306.27 g/mol
Exact Mass306.08
IUPAC NameN-(2,4-difluorophenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
SMILESCN(C(=O)C(=O)Nc1ccc(F)cc1F)c1ccc(O)cc1
InChIInChI=1S/C15H12F2N2O3/c1-19(10-3-5-11(20)6-4-10)15(22)14(21)18-13-7-2-9(16)8-12(13)17/h2-8,20H,1H3,(H,18,21)
InChIKeyLAYSGJMXJFCCKC-UHFFFAOYSA-N
XLogP2.27
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-3-(2,4-difluorophenyl)-1-methylurea
CID 43288470
N'-(4-hydroxyphenyl)-N'-methyl-N-(2,4,6-trimethylphenyl)oxamide
CID 108512267
N'-cyclohexyl-N-(2,4-difluorophenyl)-N'-methyloxamide
CID 108503869
N-[4-[(2,4-difluorophenyl)carbamothioylamino]phenyl]-N-methylacetamide
CID 19649158
N-(2-fluorophenyl)-N'-methyl-N'-phenyloxamide
CID 108520782
N-[4-(diethylamino)phenyl]-N'-(2,4-difluorophenyl)oxamide
CID 108530640
N-(2-ethoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
CID 108528439
N-(2,4-difluorophenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide
CID 47336227
N'-(2,4-difluorophenyl)-N-(2,4-dimethylphenyl)oxamide
CID 44998488
N-(2,4-difluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 103941207
N-(2,4-difluorophenyl)-3,5-dihydroxybenzamide
CID 103891425
1-N-(2,4-difluorophenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108981020

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide?
The IUPAC name of N-(2,4-difluorophenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide (CID 108528497) is N-(2,4-difluorophenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide is CN(C(=O)C(=O)Nc1ccc(F)cc1F)c1ccc(O)cc1.
What is the InChIKey of N-(2,4-difluorophenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide?
The InChIKey is LAYSGJMXJFCCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O3/c1-19(10-3-5-11(20)6-4-10)15(22)14(21)18-13-7-2-9(16)8-12(13)17/h2-8,20H,1H3,(H,18,21).
What are the key properties of N-(2,4-difluorophenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide?
N-(2,4-difluorophenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide has a molecular weight of 306.27 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide is sourced from PubChem (CID 108528497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).