3-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-fluorobenzamide

C13H20FN3O2 — CID 106139452

IUPAC3-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-fluorobenzamide
SMILESCN(C)CC(C)(O)CNC(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C13H20FN3O2/c1-13(19,8-17(2)3)7-16-12(18)9-4-10(14)6-11(15)5-9/h4-6,19H,7-8,15H2,1-3H3,(H,16,18)
InChIKeyOCVHXCQXBFHLKX-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.45
Rot. Bonds5

About 3-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-fluorobenzamide

3-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-fluorobenzamide (PubChem CID 106139452) has the molecular formula C13H20FN3O2 and a molecular weight of 269.32 g/mol. Its IUPAC name is 3-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-fluorobenzamide.

Molecular Properties

Compound Name3-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-fluorobenzamide
PubChem CID106139452
Molecular FormulaC13H20FN3O2
Molecular Weight269.32 g/mol
Exact Mass269.15
IUPAC Name3-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-fluorobenzamide
SMILESCN(C)CC(C)(O)CNC(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C13H20FN3O2/c1-13(19,8-17(2)3)7-16-12(18)9-4-10(14)6-11(15)5-9/h4-6,19H,7-8,15H2,1-3H3,(H,16,18)
InChIKeyOCVHXCQXBFHLKX-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

3,5-diamino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 106139483
N-(2,3-dihydroxy-2-methylpropyl)-3,5-difluorobenzamide
CID 66170625
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-fluoropyridine-3-carboxamide
CID 103940270
4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide
CID 103840192
2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide
CID 106148349
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-fluoropyridine-4-carboxamide
CID 103840043
3-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzamide
CID 103840147
3-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-fluorobenzamide
CID 83108641
2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-hydroxybenzamide
CID 106139474
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-fluoro-5-methylbenzamide
CID 103839903
4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 113322189
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-hydroxybenzamide
CID 110026112

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-fluorobenzamide?
The IUPAC name of 3-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-fluorobenzamide (CID 106139452) is 3-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-fluorobenzamide.
What is the SMILES notation for 3-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-fluorobenzamide?
The canonical SMILES for 3-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-fluorobenzamide is CN(C)CC(C)(O)CNC(=O)c1cc(N)cc(F)c1.
What is the InChIKey of 3-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-fluorobenzamide?
The InChIKey is OCVHXCQXBFHLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2/c1-13(19,8-17(2)3)7-16-12(18)9-4-10(14)6-11(15)5-9/h4-6,19H,7-8,15H2,1-3H3,(H,16,18).
What are the key properties of 3-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-fluorobenzamide?
3-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-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 3-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-fluorobenzamide is sourced from PubChem (CID 106139452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).