N-(2,3-difluorophenyl)-N'-[1-(2,4-difluorophenyl)ethyl]oxamide

C16H12F4N2O2 — CID 86856670

IUPACN-(2,3-difluorophenyl)-N'-[1-(2,4-difluorophenyl)ethyl]oxamide
SMILESCC(NC(=O)C(=O)Nc1cccc(F)c1F)c1ccc(F)cc1F
InChIInChI=1S/C16H12F4N2O2/c1-8(10-6-5-9(17)7-12(10)19)21-15(23)16(24)22-13-4-2-3-11(18)14(13)20/h2-8H,1H3,(H,21,23)(H,22,24)
InChIKeyXDTHYRPYMWIODO-UHFFFAOYSA-N
MW340.28 g/mol
LogP3.06
Rot. Bonds3

About N-(2,3-difluorophenyl)-N'-[1-(2,4-difluorophenyl)ethyl]oxamide

N-(2,3-difluorophenyl)-N'-[1-(2,4-difluorophenyl)ethyl]oxamide (PubChem CID 86856670) has the molecular formula C16H12F4N2O2 and a molecular weight of 340.28 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-N'-[1-(2,4-difluorophenyl)ethyl]oxamide.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-N'-[1-(2,4-difluorophenyl)ethyl]oxamide
PubChem CID86856670
Molecular FormulaC16H12F4N2O2
Molecular Weight340.28 g/mol
Exact Mass340.08
IUPAC NameN-(2,3-difluorophenyl)-N'-[1-(2,4-difluorophenyl)ethyl]oxamide
SMILESCC(NC(=O)C(=O)Nc1cccc(F)c1F)c1ccc(F)cc1F
InChIInChI=1S/C16H12F4N2O2/c1-8(10-6-5-9(17)7-12(10)19)21-15(23)16(24)22-13-4-2-3-11(18)14(13)20/h2-8H,1H3,(H,21,23)(H,22,24)
InChIKeyXDTHYRPYMWIODO-UHFFFAOYSA-N
XLogP3.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 53.06
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-(2,3-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47457392
N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide
CID 70339940
N'-[1-(2,4-difluorophenyl)ethyl]-N-quinolin-3-yloxamide
CID 56798091
N-(2,4-difluorophenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 7393082
4-[1-(2,4-difluorophenyl)ethylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992980
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide
CID 8782133
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2,3,4-trifluoroanilino)acetamide
CID 31675054
N-(2,5-difluorophenyl)-N'-(1-phenylethyl)oxamide
CID 44998519
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 51150426
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8782184
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
N-[1-(2,4-difluorophenyl)ethyl]-2,3-dimethylbenzamide
CID 112763839

Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-N'-[1-(2,4-difluorophenyl)ethyl]oxamide?
The IUPAC name of N-(2,3-difluorophenyl)-N'-[1-(2,4-difluorophenyl)ethyl]oxamide (CID 86856670) is N-(2,3-difluorophenyl)-N'-[1-(2,4-difluorophenyl)ethyl]oxamide.
What is the SMILES notation for N-(2,3-difluorophenyl)-N'-[1-(2,4-difluorophenyl)ethyl]oxamide?
The canonical SMILES for N-(2,3-difluorophenyl)-N'-[1-(2,4-difluorophenyl)ethyl]oxamide is CC(NC(=O)C(=O)Nc1cccc(F)c1F)c1ccc(F)cc1F.
What is the InChIKey of N-(2,3-difluorophenyl)-N'-[1-(2,4-difluorophenyl)ethyl]oxamide?
The InChIKey is XDTHYRPYMWIODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N2O2/c1-8(10-6-5-9(17)7-12(10)19)21-15(23)16(24)22-13-4-2-3-11(18)14(13)20/h2-8H,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(2,3-difluorophenyl)-N'-[1-(2,4-difluorophenyl)ethyl]oxamide?
N-(2,3-difluorophenyl)-N'-[1-(2,4-difluorophenyl)ethyl]oxamide has a molecular weight of 340.28 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)-N'-[1-(2,4-difluorophenyl)ethyl]oxamide is sourced from PubChem (CID 86856670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).