N',N'-bis(2-fluoro-6-methylphenyl)oxamide

C16H14F2N2O2 — CID 129219134

IUPACN',N'-bis(2-fluoro-6-methylphenyl)oxamide
SMILESCc1cccc(F)c1N(C(=O)C(N)=O)c1c(C)cccc1F
InChIInChI=1S/C16H14F2N2O2/c1-9-5-3-7-11(17)13(9)20(16(22)15(19)21)14-10(2)6-4-8-12(14)18/h3-8H,1-2H3,(H2,19,21)
InChIKeyFPQUGCDEHGAYMP-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.73
Rot. Bonds2

About N',N'-bis(2-fluoro-6-methylphenyl)oxamide

N',N'-bis(2-fluoro-6-methylphenyl)oxamide (PubChem CID 129219134) has the molecular formula C16H14F2N2O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is N',N'-bis(2-fluoro-6-methylphenyl)oxamide.

Molecular Properties

Compound NameN',N'-bis(2-fluoro-6-methylphenyl)oxamide
PubChem CID129219134
Molecular FormulaC16H14F2N2O2
Molecular Weight304.30 g/mol
Exact Mass304.10
IUPAC NameN',N'-bis(2-fluoro-6-methylphenyl)oxamide
SMILESCc1cccc(F)c1N(C(=O)C(N)=O)c1c(C)cccc1F
InChIInChI=1S/C16H14F2N2O2/c1-9-5-3-7-11(17)13(9)20(16(22)15(19)21)14-10(2)6-4-8-12(14)18/h3-8H,1-2H3,(H2,19,21)
InChIKeyFPQUGCDEHGAYMP-UHFFFAOYSA-N
XLogP2.73
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-fluoro-6-methylphenyl)oxamide?
The IUPAC name of N',N'-bis(2-fluoro-6-methylphenyl)oxamide (CID 129219134) is N',N'-bis(2-fluoro-6-methylphenyl)oxamide.
What is the SMILES notation for N',N'-bis(2-fluoro-6-methylphenyl)oxamide?
The canonical SMILES for N',N'-bis(2-fluoro-6-methylphenyl)oxamide is Cc1cccc(F)c1N(C(=O)C(N)=O)c1c(C)cccc1F.
What is the InChIKey of N',N'-bis(2-fluoro-6-methylphenyl)oxamide?
The InChIKey is FPQUGCDEHGAYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O2/c1-9-5-3-7-11(17)13(9)20(16(22)15(19)21)14-10(2)6-4-8-12(14)18/h3-8H,1-2H3,(H2,19,21).
What are the key properties of N',N'-bis(2-fluoro-6-methylphenyl)oxamide?
N',N'-bis(2-fluoro-6-methylphenyl)oxamide has a molecular weight of 304.30 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-fluoro-6-methylphenyl)oxamide is sourced from PubChem (CID 129219134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).