N'-tert-butyl-N-(2,5-difluorophenyl)oxamide

C12H14F2N2O2 — CID 44998522

IUPACN'-tert-butyl-N-(2,5-difluorophenyl)oxamide
SMILESCC(C)(C)NC(=O)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C12H14F2N2O2/c1-12(2,3)16-11(18)10(17)15-9-6-7(13)4-5-8(9)14/h4-6H,1-3H3,(H,15,17)(H,16,18)
InChIKeyMCTSXUKPBYWFKZ-UHFFFAOYSA-N
MW256.25 g/mol
LogP1.82
Rot. Bonds1

About N'-tert-butyl-N-(2,5-difluorophenyl)oxamide

N'-tert-butyl-N-(2,5-difluorophenyl)oxamide (PubChem CID 44998522) has the molecular formula C12H14F2N2O2 and a molecular weight of 256.25 g/mol. Its IUPAC name is N'-tert-butyl-N-(2,5-difluorophenyl)oxamide.

Molecular Properties

Compound NameN'-tert-butyl-N-(2,5-difluorophenyl)oxamide
PubChem CID44998522
Molecular FormulaC12H14F2N2O2
Molecular Weight256.25 g/mol
Exact Mass256.10
IUPAC NameN'-tert-butyl-N-(2,5-difluorophenyl)oxamide
SMILESCC(C)(C)NC(=O)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C12H14F2N2O2/c1-12(2,3)16-11(18)10(17)15-9-6-7(13)4-5-8(9)14/h4-6H,1-3H3,(H,15,17)(H,16,18)
InChIKeyMCTSXUKPBYWFKZ-UHFFFAOYSA-N
XLogP1.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-tert-butyl-N-(2,3,4-trifluorophenyl)oxamide
CID 108506939
N'-(5-chloro-2-methylphenyl)-N-(2,5-difluorophenyl)oxamide
CID 108511873
N'-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)oxamide
CID 44998495
N-(2,5-difluorophenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108532429
tert-butyl N-(2,5-difluorophenyl)carbamate
CID 14690685
(Z)-4-(2,5-difluoroanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 55169446
N-cyclohexyl-N'-(2,5-difluorophenyl)oxamide
CID 7585081
N'-(2,5-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide
CID 48894796
N-(2,5-difluorophenyl)-N'-(1-phenylethyl)oxamide
CID 44998519
N'-(2,5-difluorophenyl)-N-(4-iodophenyl)oxamide
CID 108532053
1-tert-butyl-3-(5-chloro-2-fluorophenyl)urea
CID 78786317
2-amino-N-(2,5-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79790386

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(2,5-difluorophenyl)oxamide?
The IUPAC name of N'-tert-butyl-N-(2,5-difluorophenyl)oxamide (CID 44998522) is N'-tert-butyl-N-(2,5-difluorophenyl)oxamide.
What is the SMILES notation for N'-tert-butyl-N-(2,5-difluorophenyl)oxamide?
The canonical SMILES for N'-tert-butyl-N-(2,5-difluorophenyl)oxamide is CC(C)(C)NC(=O)C(=O)Nc1cc(F)ccc1F.
What is the InChIKey of N'-tert-butyl-N-(2,5-difluorophenyl)oxamide?
The InChIKey is MCTSXUKPBYWFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2/c1-12(2,3)16-11(18)10(17)15-9-6-7(13)4-5-8(9)14/h4-6H,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N'-tert-butyl-N-(2,5-difluorophenyl)oxamide?
N'-tert-butyl-N-(2,5-difluorophenyl)oxamide has a molecular weight of 256.25 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(2,5-difluorophenyl)oxamide is sourced from PubChem (CID 44998522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).