N-[2-(4-fluorophenyl)ethyl]-N'-(3-methylbutyl)oxamide

C15H21FN2O2 — CID 108531969

IUPACN-[2-(4-fluorophenyl)ethyl]-N'-(3-methylbutyl)oxamide
SMILESCC(C)CCNC(=O)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2/c1-11(2)7-9-17-14(19)15(20)18-10-8-12-3-5-13(16)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyVMIPOOQDTMGUTQ-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.65
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-N'-(3-methylbutyl)oxamide

N-[2-(4-fluorophenyl)ethyl]-N'-(3-methylbutyl)oxamide (PubChem CID 108531969) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-N'-(3-methylbutyl)oxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-N'-(3-methylbutyl)oxamide
PubChem CID108531969
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-N'-(3-methylbutyl)oxamide
SMILESCC(C)CCNC(=O)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2/c1-11(2)7-9-17-14(19)15(20)18-10-8-12-3-5-13(16)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyVMIPOOQDTMGUTQ-UHFFFAOYSA-N
XLogP1.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.65
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

2-[2-(4-fluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide
CID 43112605
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
CID 109149096
3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide
CID 56919846
N'-[2-(4-fluorophenyl)ethyl]-N-(2-phenylethyl)oxamide
CID 3117526
methyl 2-[2-(4-fluorophenyl)ethylamino]-2-oxoacetate
CID 112616592
N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 78770059
2-[2-(4-fluorophenyl)ethylcarbamoyl]-3-methylbutanoic acid
CID 115186267
(2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]-4-methylpentanamide;hydrochloride
CID 119675788
N',N'-diethyl-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 108526117
3-[(4-fluorophenyl)methylamino]-N-(3-methylbutyl)propanamide
CID 109021206
N-[2-(4-fluorophenyl)ethyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109351098
[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-methylpentanoylamino)acetate
CID 56520054

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N'-(3-methylbutyl)oxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N'-(3-methylbutyl)oxamide (CID 108531969) is N-[2-(4-fluorophenyl)ethyl]-N'-(3-methylbutyl)oxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-N'-(3-methylbutyl)oxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-N'-(3-methylbutyl)oxamide is CC(C)CCNC(=O)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-N'-(3-methylbutyl)oxamide?
The InChIKey is VMIPOOQDTMGUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-11(2)7-9-17-14(19)15(20)18-10-8-12-3-5-13(16)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-N'-(3-methylbutyl)oxamide?
N-[2-(4-fluorophenyl)ethyl]-N'-(3-methylbutyl)oxamide has a molecular weight of 280.34 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-N'-(3-methylbutyl)oxamide is sourced from PubChem (CID 108531969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).