N-(2,4-difluorophenyl)-N'-[1-(2-fluorophenyl)propan-2-yl]oxamide

C17H15F3N2O2 — CID 86831524

IUPACN-(2,4-difluorophenyl)-N'-[1-(2-fluorophenyl)propan-2-yl]oxamide
SMILESCC(Cc1ccccc1F)NC(=O)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H15F3N2O2/c1-10(8-11-4-2-3-5-13(11)19)21-16(23)17(24)22-15-7-6-12(18)9-14(15)20/h2-7,9-10H,8H2,1H3,(H,21,23)(H,22,24)
InChIKeyKDXWVQZHLHZKLR-UHFFFAOYSA-N
MW336.31 g/mol
LogP2.79
Rot. Bonds4

About N-(2,4-difluorophenyl)-N'-[1-(2-fluorophenyl)propan-2-yl]oxamide

N-(2,4-difluorophenyl)-N'-[1-(2-fluorophenyl)propan-2-yl]oxamide (PubChem CID 86831524) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-N'-[1-(2-fluorophenyl)propan-2-yl]oxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-N'-[1-(2-fluorophenyl)propan-2-yl]oxamide
PubChem CID86831524
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC NameN-(2,4-difluorophenyl)-N'-[1-(2-fluorophenyl)propan-2-yl]oxamide
SMILESCC(Cc1ccccc1F)NC(=O)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H15F3N2O2/c1-10(8-11-4-2-3-5-13(11)19)21-16(23)17(24)22-15-7-6-12(18)9-14(15)20/h2-7,9-10H,8H2,1H3,(H,21,23)(H,22,24)
InChIKeyKDXWVQZHLHZKLR-UHFFFAOYSA-N
XLogP2.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 52.79
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-(2,4-difluorophenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 7393082
N-[1-(2-fluorophenyl)propan-2-yl]acetamide
CID 91692173
N-(2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47228940
N-(2,4-difluorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide
CID 111798025
N'-[1-(2-fluorophenyl)propan-2-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]oxamide
CID 86831517
1-(2,4-difluorophenyl)-3-(4-hydroxybutan-2-yl)urea
CID 78998254
2,5-difluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828016
1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea
CID 51579251
N-(2-fluorophenyl)-N'-[(2S)-1-(3-methoxyphenyl)propan-2-yl]oxamide
CID 96532473
2-amino-N-[1-(2-fluorophenyl)propan-2-yl]acetamide;hydrochloride
CID 119289007
N-(2-fluorophenyl)-N'-propan-2-yloxamide
CID 2291553
1-(4-aminopentan-2-yl)-3-(2,4-difluorophenyl)urea
CID 113376862

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-N'-[1-(2-fluorophenyl)propan-2-yl]oxamide?
The IUPAC name of N-(2,4-difluorophenyl)-N'-[1-(2-fluorophenyl)propan-2-yl]oxamide (CID 86831524) is N-(2,4-difluorophenyl)-N'-[1-(2-fluorophenyl)propan-2-yl]oxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-N'-[1-(2-fluorophenyl)propan-2-yl]oxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-N'-[1-(2-fluorophenyl)propan-2-yl]oxamide is CC(Cc1ccccc1F)NC(=O)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-N'-[1-(2-fluorophenyl)propan-2-yl]oxamide?
The InChIKey is KDXWVQZHLHZKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-10(8-11-4-2-3-5-13(11)19)21-16(23)17(24)22-15-7-6-12(18)9-14(15)20/h2-7,9-10H,8H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(2,4-difluorophenyl)-N'-[1-(2-fluorophenyl)propan-2-yl]oxamide?
N-(2,4-difluorophenyl)-N'-[1-(2-fluorophenyl)propan-2-yl]oxamide has a molecular weight of 336.31 g/mol, XLogP of 2.79, 4 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'-[1-(2-fluorophenyl)propan-2-yl]oxamide is sourced from PubChem (CID 86831524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).