N-(2,4-difluorophenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide

C12H14F2N2O3 — CID 47336227

IUPACN-(2,4-difluorophenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide
SMILESCCN(CCO)C(=O)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C12H14F2N2O3/c1-2-16(5-6-17)12(19)11(18)15-10-4-3-8(13)7-9(10)14/h3-4,7,17H,2,5-6H2,1H3,(H,15,18)
InChIKeyBFFIDIOSHGGFAX-UHFFFAOYSA-N
MW272.25 g/mol
LogP0.74
Rot. Bonds4

About N-(2,4-difluorophenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide

N-(2,4-difluorophenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide (PubChem CID 47336227) has the molecular formula C12H14F2N2O3 and a molecular weight of 272.25 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide
PubChem CID47336227
Molecular FormulaC12H14F2N2O3
Molecular Weight272.25 g/mol
Exact Mass272.10
IUPAC NameN-(2,4-difluorophenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide
SMILESCCN(CCO)C(=O)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C12H14F2N2O3/c1-2-16(5-6-17)12(19)11(18)15-10-4-3-8(13)7-9(10)14/h3-4,7,17H,2,5-6H2,1H3,(H,15,18)
InChIKeyBFFIDIOSHGGFAX-UHFFFAOYSA-N
XLogP0.74
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 50.74
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

N-[2-(diethylamino)ethyl]-N'-(2,4-difluorophenyl)oxamide
CID 7541482
N-ethyl-2,4-difluoro-N-(2-hydroxyethyl)benzamide
CID 60653825
N-[4-(diethylamino)phenyl]-N'-(2,4-difluorophenyl)oxamide
CID 108530640
N-(5-chloro-2-methoxyphenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide
CID 47336209
N-[4-(diethylamino)phenyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide
CID 108525164
3-(2-chloro-5-fluorophenyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 110930823
N-(2-carbamoylphenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide
CID 108525152
1-benzyl-3-(2,4-difluorophenyl)-1-ethylurea
CID 108989059
N-(2,4-difluorophenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
CID 108528497
1-[4-(diethylamino)phenyl]-3-(2,4-difluorophenyl)urea
CID 970808
N'-cyclohexyl-N-(2,4-difluorophenyl)-N'-methyloxamide
CID 108503869
3-(2-amino-4-fluorophenyl)-1,1-diethylurea
CID 79154224

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide?
The IUPAC name of N-(2,4-difluorophenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide (CID 47336227) is N-(2,4-difluorophenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide is CCN(CCO)C(=O)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide?
The InChIKey is BFFIDIOSHGGFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O3/c1-2-16(5-6-17)12(19)11(18)15-10-4-3-8(13)7-9(10)14/h3-4,7,17H,2,5-6H2,1H3,(H,15,18).
What are the key properties of N-(2,4-difluorophenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide?
N-(2,4-difluorophenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide has a molecular weight of 272.25 g/mol, XLogP of 0.74, 4 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'-ethyl-N'-(2-hydroxyethyl)oxamide is sourced from PubChem (CID 47336227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).