N-(3,4-difluorophenyl)-N'-(3,5-dimethylphenyl)oxamide

C16H14F2N2O2 — CID 44998787

IUPACN-(3,4-difluorophenyl)-N'-(3,5-dimethylphenyl)oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H14F2N2O2/c1-9-5-10(2)7-12(6-9)20-16(22)15(21)19-11-3-4-13(17)14(18)8-11/h3-8H,1-2H3,(H,19,21)(H,20,22)
InChIKeyKILPHDJGQYMRAH-UHFFFAOYSA-N
MW304.30 g/mol
LogP3.16
Rot. Bonds2

About N-(3,4-difluorophenyl)-N'-(3,5-dimethylphenyl)oxamide

N-(3,4-difluorophenyl)-N'-(3,5-dimethylphenyl)oxamide (PubChem CID 44998787) has the molecular formula C16H14F2N2O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-N'-(3,5-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-N'-(3,5-dimethylphenyl)oxamide
PubChem CID44998787
Molecular FormulaC16H14F2N2O2
Molecular Weight304.30 g/mol
Exact Mass304.10
IUPAC NameN-(3,4-difluorophenyl)-N'-(3,5-dimethylphenyl)oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H14F2N2O2/c1-9-5-10(2)7-12(6-9)20-16(22)15(21)19-11-3-4-13(17)14(18)8-11/h3-8H,1-2H3,(H,19,21)(H,20,22)
InChIKeyKILPHDJGQYMRAH-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'-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)oxamide
CID 44998495
N'-(3,5-dimethylphenyl)-N-phenyloxamide
CID 44996455
2-(3,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266908
N-(2,4-dichlorophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 108502902
N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide
CID 44998410
N-(3-bromo-4-fluorophenyl)-3,5-dimethylbenzamide
CID 104779493
N-(4-amino-3-chlorophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 108516205
N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
CID 108967527
(E)-N-(3,4-difluorophenyl)-2-methyl-3-phenylprop-2-enamide
CID 6140397
CID 143868293
CID 143868293
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
N-(3,4-difluorophenyl)propanamide
CID 4285365

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-N'-(3,5-dimethylphenyl)oxamide?
The IUPAC name of N-(3,4-difluorophenyl)-N'-(3,5-dimethylphenyl)oxamide (CID 44998787) is N-(3,4-difluorophenyl)-N'-(3,5-dimethylphenyl)oxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-N'-(3,5-dimethylphenyl)oxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-N'-(3,5-dimethylphenyl)oxamide is Cc1cc(C)cc(NC(=O)C(=O)Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-N'-(3,5-dimethylphenyl)oxamide?
The InChIKey is KILPHDJGQYMRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O2/c1-9-5-10(2)7-12(6-9)20-16(22)15(21)19-11-3-4-13(17)14(18)8-11/h3-8H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(3,4-difluorophenyl)-N'-(3,5-dimethylphenyl)oxamide?
N-(3,4-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-(3,4-difluorophenyl)-N'-(3,5-dimethylphenyl)oxamide is sourced from PubChem (CID 44998787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).