N-(2-fluorophenyl)-N,5,5-trimethyl-3-oxohexanamide

C15H20FNO2 — CID 58474928

IUPACN-(2-fluorophenyl)-N,5,5-trimethyl-3-oxohexanamide
SMILESCN(C(=O)CC(=O)CC(C)(C)C)c1ccccc1F
InChIInChI=1S/C15H20FNO2/c1-15(2,3)10-11(18)9-14(19)17(4)13-8-6-5-7-12(13)16/h5-8H,9-10H2,1-4H3
InChIKeyMUZDWNKXUVAOQF-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.18
Rot. Bonds4

About N-(2-fluorophenyl)-N,5,5-trimethyl-3-oxohexanamide

N-(2-fluorophenyl)-N,5,5-trimethyl-3-oxohexanamide (PubChem CID 58474928) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N,5,5-trimethyl-3-oxohexanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N,5,5-trimethyl-3-oxohexanamide
PubChem CID58474928
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC NameN-(2-fluorophenyl)-N,5,5-trimethyl-3-oxohexanamide
SMILESCN(C(=O)CC(=O)CC(C)(C)C)c1ccccc1F
InChIInChI=1S/C15H20FNO2/c1-15(2,3)10-11(18)9-14(19)17(4)13-8-6-5-7-12(13)16/h5-8H,9-10H2,1-4H3
InChIKeyMUZDWNKXUVAOQF-UHFFFAOYSA-N
XLogP3.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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CID 112727460
3-amino-N-(2-fluorophenyl)-3-hydroxyimino-N,2,2-trimethylpropanamide
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N-(2-fluorophenyl)-N-methyl-2-sulfanylpropanamide
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2-amino-N-(2-fluorophenyl)-3-hydroxy-N-methylpropanamide
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CID 62934429

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N,5,5-trimethyl-3-oxohexanamide?
The IUPAC name of N-(2-fluorophenyl)-N,5,5-trimethyl-3-oxohexanamide (CID 58474928) is N-(2-fluorophenyl)-N,5,5-trimethyl-3-oxohexanamide.
What is the SMILES notation for N-(2-fluorophenyl)-N,5,5-trimethyl-3-oxohexanamide?
The canonical SMILES for N-(2-fluorophenyl)-N,5,5-trimethyl-3-oxohexanamide is CN(C(=O)CC(=O)CC(C)(C)C)c1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-N,5,5-trimethyl-3-oxohexanamide?
The InChIKey is MUZDWNKXUVAOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-15(2,3)10-11(18)9-14(19)17(4)13-8-6-5-7-12(13)16/h5-8H,9-10H2,1-4H3.
What are the key properties of N-(2-fluorophenyl)-N,5,5-trimethyl-3-oxohexanamide?
N-(2-fluorophenyl)-N,5,5-trimethyl-3-oxohexanamide has a molecular weight of 265.33 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N,5,5-trimethyl-3-oxohexanamide is sourced from PubChem (CID 58474928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).