N-(2,5-difluorophenyl)-N'-(1-phenylethyl)oxamide

C16H14F2N2O2 — CID 44998519

IUPACN-(2,5-difluorophenyl)-N'-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)Nc1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C16H14F2N2O2/c1-10(11-5-3-2-4-6-11)19-15(21)16(22)20-14-9-12(17)7-8-13(14)18/h2-10H,1H3,(H,19,21)(H,20,22)
InChIKeyKRATVWPEOBGMDP-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.78
Rot. Bonds3

About N-(2,5-difluorophenyl)-N'-(1-phenylethyl)oxamide

N-(2,5-difluorophenyl)-N'-(1-phenylethyl)oxamide (PubChem CID 44998519) has the molecular formula C16H14F2N2O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-N'-(1-phenylethyl)oxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-N'-(1-phenylethyl)oxamide
PubChem CID44998519
Molecular FormulaC16H14F2N2O2
Molecular Weight304.30 g/mol
Exact Mass304.10
IUPAC NameN-(2,5-difluorophenyl)-N'-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)Nc1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C16H14F2N2O2/c1-10(11-5-3-2-4-6-11)19-15(21)16(22)20-14-9-12(17)7-8-13(14)18/h2-10H,1H3,(H,19,21)(H,20,22)
InChIKeyKRATVWPEOBGMDP-UHFFFAOYSA-N
XLogP2.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,5-difluorophenyl)-N'-(1-phenylethyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-difluorophenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 7393082
N-(2,5-difluorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108511128
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081
1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea
CID 51579251
2,5-difluoro-N-(1-phenylethyl)aniline
CID 43178058
1-(5-fluoro-2-methylphenyl)-3-[(1S)-1-phenylethyl]urea
CID 51944551
N-(2,5-difluorophenyl)-2,2-diphenylacetamide
CID 7770336
N-(5-chloro-2-methoxyphenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 7378760
N-(5-chloro-2-methoxyphenyl)-N'-(1-phenylethyl)oxamide
CID 2986502
N-(2-chlorophenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 2291188
N-(2-chloro-5-fluorophenyl)-N'-[(1R)-1-pyridin-3-ylethyl]oxamide
CID 95159921
N'-tert-butyl-N-(2,5-difluorophenyl)oxamide
CID 44998522

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-N'-(1-phenylethyl)oxamide?
The IUPAC name of N-(2,5-difluorophenyl)-N'-(1-phenylethyl)oxamide (CID 44998519) is N-(2,5-difluorophenyl)-N'-(1-phenylethyl)oxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-N'-(1-phenylethyl)oxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-N'-(1-phenylethyl)oxamide is CC(NC(=O)C(=O)Nc1cc(F)ccc1F)c1ccccc1.
What is the InChIKey of N-(2,5-difluorophenyl)-N'-(1-phenylethyl)oxamide?
The InChIKey is KRATVWPEOBGMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O2/c1-10(11-5-3-2-4-6-11)19-15(21)16(22)20-14-9-12(17)7-8-13(14)18/h2-10H,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(2,5-difluorophenyl)-N'-(1-phenylethyl)oxamide?
N-(2,5-difluorophenyl)-N'-(1-phenylethyl)oxamide has a molecular weight of 304.30 g/mol, XLogP of 2.78, 3 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'-(1-phenylethyl)oxamide is sourced from PubChem (CID 44998519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).