3-amino-N-[2-(dimethylamino)-2-methylpropyl]-2,5-difluorobenzamide

C13H19F2N3O — CID 107120916

IUPAC3-amino-N-[2-(dimethylamino)-2-methylpropyl]-2,5-difluorobenzamide
SMILESCN(C)C(C)(C)CNC(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C13H19F2N3O/c1-13(2,18(3)4)7-17-12(19)9-5-8(14)6-10(16)11(9)15/h5-6H,7,16H2,1-4H3,(H,17,19)
InChIKeyIZBCFLIMJMHGIF-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.62
Rot. Bonds4

About 3-amino-N-[2-(dimethylamino)-2-methylpropyl]-2,5-difluorobenzamide

3-amino-N-[2-(dimethylamino)-2-methylpropyl]-2,5-difluorobenzamide (PubChem CID 107120916) has the molecular formula C13H19F2N3O and a molecular weight of 271.31 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylamino)-2-methylpropyl]-2,5-difluorobenzamide.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylamino)-2-methylpropyl]-2,5-difluorobenzamide
PubChem CID107120916
Molecular FormulaC13H19F2N3O
Molecular Weight271.31 g/mol
Exact Mass271.15
IUPAC Name3-amino-N-[2-(dimethylamino)-2-methylpropyl]-2,5-difluorobenzamide
SMILESCN(C)C(C)(C)CNC(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C13H19F2N3O/c1-13(2,18(3)4)7-17-12(19)9-5-8(14)6-10(16)11(9)15/h5-6H,7,16H2,1-4H3,(H,17,19)
InChIKeyIZBCFLIMJMHGIF-UHFFFAOYSA-N
XLogP1.62
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(dimethylamino)-2-methylpropyl]-4-fluorobenzamide
CID 63110068
2-amino-N-[2-(dimethylamino)-2-methylpropyl]-5-fluorobenzamide
CID 54979124
3-amino-N-butyl-2,5-difluorobenzamide
CID 107120407
N-[2-(dimethylamino)-2-methylpropyl]-2,3-difluorobenzamide
CID 62660764
3-amino-2,5-difluoro-N-(2-methylsulfanylethyl)benzamide
CID 107121095
3-amino-N-(2,2-difluoroethyl)-2,5-difluoro-N-methylbenzamide
CID 107121456
3-amino-2,5-difluoro-N-(4-hydroxypentyl)benzamide
CID 114145958
3-amino-2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 107121499
3-amino-2,5-difluoro-N-(6-hydroxyhexyl)benzamide
CID 107843161
3-amino-N-[(2-ethylphenyl)methyl]-2,5-difluorobenzamide
CID 107121143
3-amino-N-[2-(dimethylamino)-2-methylpropyl]-4-methylbenzamide
CID 54979034
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2,5-difluorobenzamide
CID 107121548

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylamino)-2-methylpropyl]-2,5-difluorobenzamide?
The IUPAC name of 3-amino-N-[2-(dimethylamino)-2-methylpropyl]-2,5-difluorobenzamide (CID 107120916) is 3-amino-N-[2-(dimethylamino)-2-methylpropyl]-2,5-difluorobenzamide.
What is the SMILES notation for 3-amino-N-[2-(dimethylamino)-2-methylpropyl]-2,5-difluorobenzamide?
The canonical SMILES for 3-amino-N-[2-(dimethylamino)-2-methylpropyl]-2,5-difluorobenzamide is CN(C)C(C)(C)CNC(=O)c1cc(F)cc(N)c1F.
What is the InChIKey of 3-amino-N-[2-(dimethylamino)-2-methylpropyl]-2,5-difluorobenzamide?
The InChIKey is IZBCFLIMJMHGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O/c1-13(2,18(3)4)7-17-12(19)9-5-8(14)6-10(16)11(9)15/h5-6H,7,16H2,1-4H3,(H,17,19).
What are the key properties of 3-amino-N-[2-(dimethylamino)-2-methylpropyl]-2,5-difluorobenzamide?
3-amino-N-[2-(dimethylamino)-2-methylpropyl]-2,5-difluorobenzamide has a molecular weight of 271.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(dimethylamino)-2-methylpropyl]-2,5-difluorobenzamide is sourced from PubChem (CID 107120916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).