2-(4-fluoroanilino)-4,4-dimethoxybutanamide

C12H17FN2O3 — CID 66270904

IUPAC2-(4-fluoroanilino)-4,4-dimethoxybutanamide
SMILESCOC(CC(Nc1ccc(F)cc1)C(N)=O)OC
InChIInChI=1S/C12H17FN2O3/c1-17-11(18-2)7-10(12(14)16)15-9-5-3-8(13)4-6-9/h3-6,10-11,15H,7H2,1-2H3,(H2,14,16)
InChIKeyGYNCHBSWAWAWPO-UHFFFAOYSA-N
MW256.28 g/mol
LogP1.10
Rot. Bonds7

About 2-(4-fluoroanilino)-4,4-dimethoxybutanamide

2-(4-fluoroanilino)-4,4-dimethoxybutanamide (PubChem CID 66270904) has the molecular formula C12H17FN2O3 and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-4,4-dimethoxybutanamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-4,4-dimethoxybutanamide
PubChem CID66270904
Molecular FormulaC12H17FN2O3
Molecular Weight256.28 g/mol
Exact Mass256.12
IUPAC Name2-(4-fluoroanilino)-4,4-dimethoxybutanamide
SMILESCOC(CC(Nc1ccc(F)cc1)C(N)=O)OC
InChIInChI=1S/C12H17FN2O3/c1-17-11(18-2)7-10(12(14)16)15-9-5-3-8(13)4-6-9/h3-6,10-11,15H,7H2,1-2H3,(H2,14,16)
InChIKeyGYNCHBSWAWAWPO-UHFFFAOYSA-N
XLogP1.10
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluoroanilino)-4,4-dimethylpentanamide
CID 55156388
methyl (2S)-2-(4-fluoroanilino)propanoate;hydrochloride
CID 70079411
methyl 2-(4-fluoroanilino)hexanoate
CID 61353749
ethyl 2-(4-fluoroanilino)-3-hydroxypropanoate
CID 104711228
2-(4-methoxyanilino)butanamide
CID 61005469
methyl 2-(4-fluoroanilino)-4-phenylbutanoate
CID 62881970
methyl 3-azido-2-(4-fluoroanilino)propanoate
CID 66426879
3-(4-fluoroanilino)pentanamide
CID 76725039
2-(4-fluoroanilino)-3-methylbut-3-enamide
CID 114784366
methyl 3-(4-fluorophenyl)-2-[4-(methanesulfonamido)anilino]propanoate
CID 86804274
4-methoxy-2-(4-methoxyanilino)-4-methylpentanamide
CID 106675870
2-(4-methoxyanilino)-N'-methylbutanediamide
CID 66429484

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-4,4-dimethoxybutanamide?
The IUPAC name of 2-(4-fluoroanilino)-4,4-dimethoxybutanamide (CID 66270904) is 2-(4-fluoroanilino)-4,4-dimethoxybutanamide.
What is the SMILES notation for 2-(4-fluoroanilino)-4,4-dimethoxybutanamide?
The canonical SMILES for 2-(4-fluoroanilino)-4,4-dimethoxybutanamide is COC(CC(Nc1ccc(F)cc1)C(N)=O)OC.
What is the InChIKey of 2-(4-fluoroanilino)-4,4-dimethoxybutanamide?
The InChIKey is GYNCHBSWAWAWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3/c1-17-11(18-2)7-10(12(14)16)15-9-5-3-8(13)4-6-9/h3-6,10-11,15H,7H2,1-2H3,(H2,14,16).
What are the key properties of 2-(4-fluoroanilino)-4,4-dimethoxybutanamide?
2-(4-fluoroanilino)-4,4-dimethoxybutanamide has a molecular weight of 256.28 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-4,4-dimethoxybutanamide is sourced from PubChem (CID 66270904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).