N'-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)oxamide

C16H14F2N2O2 — CID 44998495

IUPACN'-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)Nc2cc(F)ccc2F)c1
InChIInChI=1S/C16H14F2N2O2/c1-9-5-10(2)7-12(6-9)19-15(21)16(22)20-14-8-11(17)3-4-13(14)18/h3-8H,1-2H3,(H,19,21)(H,20,22)
InChIKeyVFAUPAMJUHYBMM-UHFFFAOYSA-N
MW304.30 g/mol
LogP3.16
Rot. Bonds2

About N'-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)oxamide

N'-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)oxamide (PubChem CID 44998495) has the molecular formula C16H14F2N2O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is N'-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN'-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)oxamide
PubChem CID44998495
Molecular FormulaC16H14F2N2O2
Molecular Weight304.30 g/mol
Exact Mass304.10
IUPAC NameN'-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)Nc2cc(F)ccc2F)c1
InChIInChI=1S/C16H14F2N2O2/c1-9-5-10(2)7-12(6-9)19-15(21)16(22)20-14-8-11(17)3-4-13(14)18/h3-8H,1-2H3,(H,19,21)(H,20,22)
InChIKeyVFAUPAMJUHYBMM-UHFFFAOYSA-N
XLogP3.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 53.16
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-(3,4-difluorophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 44998787
N'-(2,5-difluorophenyl)-N-(4-iodophenyl)oxamide
CID 108532053
N'-(5-chloro-2-methylphenyl)-N-(2,5-difluorophenyl)oxamide
CID 108511873
N-(2,5-difluorophenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108532429
N'-tert-butyl-N-(2,5-difluorophenyl)oxamide
CID 44998522
N-(2,4-dichlorophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 108502902
N-(2,5-difluorophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
CID 108519396
N-(2,5-difluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108524041
(Z)-4-(2,5-difluoroanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 55169446
N'-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 7541440
N'-(2,5-difluorophenyl)-N-(4-piperidin-1-ylphenyl)oxamide
CID 108527766
N'-(3,5-dimethylphenyl)-N-phenyloxamide
CID 44996455

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)oxamide?
The IUPAC name of N'-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)oxamide (CID 44998495) is N'-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)oxamide.
What is the SMILES notation for N'-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)oxamide?
The canonical SMILES for N'-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)oxamide is Cc1cc(C)cc(NC(=O)C(=O)Nc2cc(F)ccc2F)c1.
What is the InChIKey of N'-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)oxamide?
The InChIKey is VFAUPAMJUHYBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O2/c1-9-5-10(2)7-12(6-9)19-15(21)16(22)20-14-8-11(17)3-4-13(14)18/h3-8H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)oxamide?
N'-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)oxamide has a molecular weight of 304.30 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)oxamide is sourced from PubChem (CID 44998495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).