2-[[2-(3-fluoro-2-methylphenyl)-2-methyliminoacetyl]amino]-3,3-dimethylbutanamide

C16H22FN3O2 — CID 143855579

IUPAC2-[[2-(3-fluoro-2-methylphenyl)-2-methyliminoacetyl]amino]-3,3-dimethylbutanamide
SMILESC/N=C(\C(=O)NC(C(N)=O)C(C)(C)C)c1cccc(F)c1C
InChIInChI=1S/C16H22FN3O2/c1-9-10(7-6-8-11(9)17)12(19-5)15(22)20-13(14(18)21)16(2,3)4/h6-8,13H,1-5H3,(H2,18,21)(H,20,22)/b19-12-
InChIKeyDBLGBKPSSMKOEY-UNOMPAQXSA-N
MW307.37 g/mol
LogP1.57
Rot. Bonds4

About 2-[[2-(3-fluoro-2-methylphenyl)-2-methyliminoacetyl]amino]-3,3-dimethylbutanamide

2-[[2-(3-fluoro-2-methylphenyl)-2-methyliminoacetyl]amino]-3,3-dimethylbutanamide (PubChem CID 143855579) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-[[2-(3-fluoro-2-methylphenyl)-2-methyliminoacetyl]amino]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-[[2-(3-fluoro-2-methylphenyl)-2-methyliminoacetyl]amino]-3,3-dimethylbutanamide
PubChem CID143855579
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name2-[[2-(3-fluoro-2-methylphenyl)-2-methyliminoacetyl]amino]-3,3-dimethylbutanamide
SMILESC/N=C(\C(=O)NC(C(N)=O)C(C)(C)C)c1cccc(F)c1C
InChIInChI=1S/C16H22FN3O2/c1-9-10(7-6-8-11(9)17)12(19-5)15(22)20-13(14(18)21)16(2,3)4/h6-8,13H,1-5H3,(H2,18,21)(H,20,22)/b19-12-
InChIKeyDBLGBKPSSMKOEY-UNOMPAQXSA-N
XLogP1.57
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluoro-2-methylphenyl)-2-methyliminoacetyl]amino]-3,3-dimethylbutanamide?
The IUPAC name of 2-[[2-(3-fluoro-2-methylphenyl)-2-methyliminoacetyl]amino]-3,3-dimethylbutanamide (CID 143855579) is 2-[[2-(3-fluoro-2-methylphenyl)-2-methyliminoacetyl]amino]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-[[2-(3-fluoro-2-methylphenyl)-2-methyliminoacetyl]amino]-3,3-dimethylbutanamide?
The canonical SMILES for 2-[[2-(3-fluoro-2-methylphenyl)-2-methyliminoacetyl]amino]-3,3-dimethylbutanamide is C/N=C(\C(=O)NC(C(N)=O)C(C)(C)C)c1cccc(F)c1C.
What is the InChIKey of 2-[[2-(3-fluoro-2-methylphenyl)-2-methyliminoacetyl]amino]-3,3-dimethylbutanamide?
The InChIKey is DBLGBKPSSMKOEY-UNOMPAQXSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-9-10(7-6-8-11(9)17)12(19-5)15(22)20-13(14(18)21)16(2,3)4/h6-8,13H,1-5H3,(H2,18,21)(H,20,22)/b19-12-.
What are the key properties of 2-[[2-(3-fluoro-2-methylphenyl)-2-methyliminoacetyl]amino]-3,3-dimethylbutanamide?
2-[[2-(3-fluoro-2-methylphenyl)-2-methyliminoacetyl]amino]-3,3-dimethylbutanamide has a molecular weight of 307.37 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluoro-2-methylphenyl)-2-methyliminoacetyl]amino]-3,3-dimethylbutanamide is sourced from PubChem (CID 143855579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).