N-[(2S)-2-ethylhexyl]-N'-(3-fluorophenyl)oxamide

C16H23FN2O2 — CID 2291432

IUPACN-[(2S)-2-ethylhexyl]-N'-(3-fluorophenyl)oxamide
SMILESCCCCC(CC)CNC(=O)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H23FN2O2/c1-3-5-7-12(4-2)11-18-15(20)16(21)19-14-9-6-8-13(17)10-14/h6,8-10,12H,3-5,7,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyYYJRXPYDJNYABG-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.10
Rot. Bonds7

About N-[(2S)-2-ethylhexyl]-N'-(3-fluorophenyl)oxamide

N-[(2S)-2-ethylhexyl]-N'-(3-fluorophenyl)oxamide (PubChem CID 2291432) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[(2S)-2-ethylhexyl]-N'-(3-fluorophenyl)oxamide.

Molecular Properties

Compound NameN-[(2S)-2-ethylhexyl]-N'-(3-fluorophenyl)oxamide
PubChem CID2291432
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-[(2S)-2-ethylhexyl]-N'-(3-fluorophenyl)oxamide
SMILESCCCCC(CC)CNC(=O)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H23FN2O2/c1-3-5-7-12(4-2)11-18-15(20)16(21)19-14-9-6-8-13(17)10-14/h6,8-10,12H,3-5,7,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyYYJRXPYDJNYABG-UHFFFAOYSA-N
XLogP3.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.10
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-ethylhexyl)-N'-phenyloxamide
CID 3102544
1-(2-ethylhexyl)-3-(3-fluorophenyl)thiourea
CID 19651728
2-(2-ethylhexylamino)-N-(3-fluorophenyl)acetamide
CID 103601437
N'-(3,5-dimethylphenyl)-N-(2-ethylhexyl)oxamide
CID 4272614
2-(2-ethylhexylamino)-4-(3-fluoroanilino)-4-oxobutanoic acid
CID 18886235
N'-(3-chloro-4-methylphenyl)-N-[(2S)-2-ethylhexyl]oxamide
CID 2291750
1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709950
N-(2-ethylhexyl)-N'-(2-ethylphenyl)oxamide
CID 4656011
N-[2,2-bis(furan-2-yl)ethyl]-N'-(3-fluorophenyl)oxamide
CID 131701808
1-(1-aminohexan-2-yl)-3-(3-fluorophenyl)urea
CID 80696545
N-(2-acetamidoethyl)-N'-(3-fluorophenyl)oxamide
CID 47226155
ethyl 2-[4-[[4-[(2-ethoxy-2-oxoacetyl)amino]phenyl]methyl]anilino]-2-oxoacetate;N-(2-ethylhexyl)-N'-[4-[[4-[[2-(2-ethylhexylamino)-2-oxoacetyl]amino]phenyl]methyl]phenyl]oxamide
CID 161032414

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-ethylhexyl]-N'-(3-fluorophenyl)oxamide?
The IUPAC name of N-[(2S)-2-ethylhexyl]-N'-(3-fluorophenyl)oxamide (CID 2291432) is N-[(2S)-2-ethylhexyl]-N'-(3-fluorophenyl)oxamide.
What is the SMILES notation for N-[(2S)-2-ethylhexyl]-N'-(3-fluorophenyl)oxamide?
The canonical SMILES for N-[(2S)-2-ethylhexyl]-N'-(3-fluorophenyl)oxamide is CCCCC(CC)CNC(=O)C(=O)Nc1cccc(F)c1.
What is the InChIKey of N-[(2S)-2-ethylhexyl]-N'-(3-fluorophenyl)oxamide?
The InChIKey is YYJRXPYDJNYABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-3-5-7-12(4-2)11-18-15(20)16(21)19-14-9-6-8-13(17)10-14/h6,8-10,12H,3-5,7,11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[(2S)-2-ethylhexyl]-N'-(3-fluorophenyl)oxamide?
N-[(2S)-2-ethylhexyl]-N'-(3-fluorophenyl)oxamide has a molecular weight of 294.37 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-ethylhexyl]-N'-(3-fluorophenyl)oxamide is sourced from PubChem (CID 2291432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).