N'-(2,4-difluorophenyl)-N-[(3-fluoro-4-methylphenyl)methyl]oxamide

C16H13F3N2O2 — CID 86996766

IUPACN'-(2,4-difluorophenyl)-N-[(3-fluoro-4-methylphenyl)methyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2F)cc1F
InChIInChI=1S/C16H13F3N2O2/c1-9-2-3-10(6-12(9)18)8-20-15(22)16(23)21-14-5-4-11(17)7-13(14)19/h2-7H,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyVSGYZNPUVQOVOA-UHFFFAOYSA-N
MW322.29 g/mol
LogP2.67
Rot. Bonds3

About N'-(2,4-difluorophenyl)-N-[(3-fluoro-4-methylphenyl)methyl]oxamide

N'-(2,4-difluorophenyl)-N-[(3-fluoro-4-methylphenyl)methyl]oxamide (PubChem CID 86996766) has the molecular formula C16H13F3N2O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is N'-(2,4-difluorophenyl)-N-[(3-fluoro-4-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(2,4-difluorophenyl)-N-[(3-fluoro-4-methylphenyl)methyl]oxamide
PubChem CID86996766
Molecular FormulaC16H13F3N2O2
Molecular Weight322.29 g/mol
Exact Mass322.09
IUPAC NameN'-(2,4-difluorophenyl)-N-[(3-fluoro-4-methylphenyl)methyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2F)cc1F
InChIInChI=1S/C16H13F3N2O2/c1-9-2-3-10(6-12(9)18)8-20-15(22)16(23)21-14-5-4-11(17)7-13(14)19/h2-7H,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyVSGYZNPUVQOVOA-UHFFFAOYSA-N
XLogP2.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 52.67
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-[(4-chlorophenyl)methyl]-N'-(2,4-difluorophenyl)oxamide
CID 2986647
N'-(2,4-difluorophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 7292792
2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 34485300
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 38949085
N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-difluorophenyl)oxamide
CID 7541504
N'-(2,4-difluorophenyl)-N-(2,4-dimethylphenyl)oxamide
CID 44998488
N'-(2,4-difluorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide
CID 16892001
N-[2-(diethylamino)ethyl]-N'-(2,4-difluorophenyl)oxamide
CID 7541482
4-N-(2,4-difluorophenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046989
N,N'-bis[(3,4-difluorophenyl)methyl]oxamide
CID 126500404
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
4-(acetamidomethyl)-N-(2,4-difluorophenyl)benzamide
CID 18195856

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-difluorophenyl)-N-[(3-fluoro-4-methylphenyl)methyl]oxamide?
The IUPAC name of N'-(2,4-difluorophenyl)-N-[(3-fluoro-4-methylphenyl)methyl]oxamide (CID 86996766) is N'-(2,4-difluorophenyl)-N-[(3-fluoro-4-methylphenyl)methyl]oxamide.
What is the SMILES notation for N'-(2,4-difluorophenyl)-N-[(3-fluoro-4-methylphenyl)methyl]oxamide?
The canonical SMILES for N'-(2,4-difluorophenyl)-N-[(3-fluoro-4-methylphenyl)methyl]oxamide is Cc1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2F)cc1F.
What is the InChIKey of N'-(2,4-difluorophenyl)-N-[(3-fluoro-4-methylphenyl)methyl]oxamide?
The InChIKey is VSGYZNPUVQOVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O2/c1-9-2-3-10(6-12(9)18)8-20-15(22)16(23)21-14-5-4-11(17)7-13(14)19/h2-7H,8H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-(2,4-difluorophenyl)-N-[(3-fluoro-4-methylphenyl)methyl]oxamide?
N'-(2,4-difluorophenyl)-N-[(3-fluoro-4-methylphenyl)methyl]oxamide has a molecular weight of 322.29 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-difluorophenyl)-N-[(3-fluoro-4-methylphenyl)methyl]oxamide is sourced from PubChem (CID 86996766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).