N-(3-fluorophenyl)-N'-(5-methylhexan-2-yl)oxamide

C15H21FN2O2 — CID 86995587

IUPACN-(3-fluorophenyl)-N'-(5-methylhexan-2-yl)oxamide
SMILESCC(C)CCC(C)NC(=O)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H21FN2O2/c1-10(2)7-8-11(3)17-14(19)15(20)18-13-6-4-5-12(16)9-13/h4-6,9-11H,7-8H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyACJVLGVLMCIFJP-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.71
Rot. Bonds5

About N-(3-fluorophenyl)-N'-(5-methylhexan-2-yl)oxamide

N-(3-fluorophenyl)-N'-(5-methylhexan-2-yl)oxamide (PubChem CID 86995587) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N'-(5-methylhexan-2-yl)oxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N'-(5-methylhexan-2-yl)oxamide
PubChem CID86995587
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-(3-fluorophenyl)-N'-(5-methylhexan-2-yl)oxamide
SMILESCC(C)CCC(C)NC(=O)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H21FN2O2/c1-10(2)7-8-11(3)17-14(19)15(20)18-13-6-4-5-12(16)9-13/h4-6,9-11H,7-8H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyACJVLGVLMCIFJP-UHFFFAOYSA-N
XLogP2.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-fluorophenyl)-N'-(5-methylhexan-2-yl)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-(3-fluorophenyl)-N'-(2-hydroxy-1-phenylethyl)oxamide
CID 111798119
N'-(2,6-dimethylphenyl)-N-(3-fluorophenyl)oxamide
CID 108531930
2-methylpropyl N-(3-fluorophenyl)carbamate
CID 15908281
N-(2-acetamidoethyl)-N'-(3-fluorophenyl)oxamide
CID 47226155
N'-(2,6-difluorophenyl)-N-(3-fluorophenyl)oxamide
CID 108522116
N'-(3-bromophenyl)-N-(3-fluorophenyl)oxamide
CID 108529598
1-(3-aminophenyl)-3-(5-methylhexan-2-yl)urea
CID 63926516
3-[bis(2-methylpropyl)amino]-N-(3-fluorophenyl)propanamide
CID 60501159
2-[[amino-(3-methylbutylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 111089372
3-(5-methylhexan-2-ylcarbamoylamino)benzoic acid
CID 63925725
N-[(2S)-2-ethylhexyl]-N'-(3-fluorophenyl)oxamide
CID 2291432
N-(3-hydroxyphenyl)-N'-[(2S)-4-phenylbutan-2-yl]oxamide
CID 51973354

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N'-(5-methylhexan-2-yl)oxamide?
The IUPAC name of N-(3-fluorophenyl)-N'-(5-methylhexan-2-yl)oxamide (CID 86995587) is N-(3-fluorophenyl)-N'-(5-methylhexan-2-yl)oxamide.
What is the SMILES notation for N-(3-fluorophenyl)-N'-(5-methylhexan-2-yl)oxamide?
The canonical SMILES for N-(3-fluorophenyl)-N'-(5-methylhexan-2-yl)oxamide is CC(C)CCC(C)NC(=O)C(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-N'-(5-methylhexan-2-yl)oxamide?
The InChIKey is ACJVLGVLMCIFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10(2)7-8-11(3)17-14(19)15(20)18-13-6-4-5-12(16)9-13/h4-6,9-11H,7-8H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-(3-fluorophenyl)-N'-(5-methylhexan-2-yl)oxamide?
N-(3-fluorophenyl)-N'-(5-methylhexan-2-yl)oxamide has a molecular weight of 280.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N'-(5-methylhexan-2-yl)oxamide is sourced from PubChem (CID 86995587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).