N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-oxobutanamide

C15H20FNO2 — CID 61249393

IUPACN-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)NC(c1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C15H20FNO2/c1-10(18)9-13(19)17-14(15(2,3)4)11-5-7-12(16)8-6-11/h5-8,14H,9H2,1-4H3,(H,17,19)
InChIKeyMUSUMSCFEUPHQO-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.01
Rot. Bonds4

About N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-oxobutanamide

N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-oxobutanamide (PubChem CID 61249393) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-oxobutanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-oxobutanamide
PubChem CID61249393
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC NameN-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)NC(c1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C15H20FNO2/c1-10(18)9-13(19)17-14(15(2,3)4)11-5-7-12(16)8-6-11/h5-8,14H,9H2,1-4H3,(H,17,19)
InChIKeyMUSUMSCFEUPHQO-UHFFFAOYSA-N
XLogP3.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]butanamide
CID 79024176
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119724701
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(methylamino)propanamide
CID 62637670
2-[[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]acetamide
CID 94197027
2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide
CID 60847374
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119724717
N-[2-(4-fluorophenyl)propan-2-yl]-3-oxobutanamide
CID 110470666
5-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide
CID 104684157
1-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]cyclopentane-1-carboxamide
CID 60852822
1-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 111438333
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 55782952
3-(4-fluorophenyl)-N,4,4-trimethylpentanamide
CID 82083910

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-oxobutanamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-oxobutanamide (CID 61249393) is N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-oxobutanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-oxobutanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-oxobutanamide is CC(=O)CC(=O)NC(c1ccc(F)cc1)C(C)(C)C.
What is the InChIKey of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-oxobutanamide?
The InChIKey is MUSUMSCFEUPHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-10(18)9-13(19)17-14(15(2,3)4)11-5-7-12(16)8-6-11/h5-8,14H,9H2,1-4H3,(H,17,19).
What are the key properties of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-oxobutanamide?
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-oxobutanamide has a molecular weight of 265.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-oxobutanamide is sourced from PubChem (CID 61249393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).