2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide

C13H20FN3O2 — CID 106148349

IUPAC2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide
SMILESCN(C)CC(C)(O)CNC(=O)c1cccc(F)c1N
InChIInChI=1S/C13H20FN3O2/c1-13(19,8-17(2)3)7-16-12(18)9-5-4-6-10(14)11(9)15/h4-6,19H,7-8,15H2,1-3H3,(H,16,18)
InChIKeyRZYWKYRGEZQJAO-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.45
Rot. Bonds5

About 2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide

2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide (PubChem CID 106148349) has the molecular formula C13H20FN3O2 and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide
PubChem CID106148349
Molecular FormulaC13H20FN3O2
Molecular Weight269.32 g/mol
Exact Mass269.15
IUPAC Name2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide
SMILESCN(C)CC(C)(O)CNC(=O)c1cccc(F)c1N
InChIInChI=1S/C13H20FN3O2/c1-13(19,8-17(2)3)7-16-12(18)9-5-4-6-10(14)11(9)15/h4-6,19H,7-8,15H2,1-3H3,(H,16,18)
InChIKeyRZYWKYRGEZQJAO-UHFFFAOYSA-N
XLogP0.45
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-fluorobenzamide
CID 62649866
2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide
CID 106143245
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-fluorobenzamide
CID 106276529
3-amino-2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 106139493
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 103840160
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbenzamide
CID 103848640
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-fluoro-5-methylbenzamide
CID 103839903
2-amino-3-fluoro-N',N'-dimethylbenzohydrazide
CID 83021184
5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-fluorobenzamide
CID 103839807
2-amino-3-fluoro-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106291883
3-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-fluorobenzamide
CID 106139452
2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-hydroxybenzamide
CID 106139474

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide?
The IUPAC name of 2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide (CID 106148349) is 2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide.
What is the SMILES notation for 2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide?
The canonical SMILES for 2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide is CN(C)CC(C)(O)CNC(=O)c1cccc(F)c1N.
What is the InChIKey of 2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide?
The InChIKey is RZYWKYRGEZQJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2/c1-13(19,8-17(2)3)7-16-12(18)9-5-4-6-10(14)11(9)15/h4-6,19H,7-8,15H2,1-3H3,(H,16,18).
What are the key properties of 2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide?
2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide has a molecular weight of 269.32 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide is sourced from PubChem (CID 106148349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).