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

C13H20FN3O — CID 54979124

IUPAC2-amino-N-[2-(dimethylamino)-2-methylpropyl]-5-fluorobenzamide
SMILESCN(C)C(C)(C)CNC(=O)c1cc(F)ccc1N
InChIInChI=1S/C13H20FN3O/c1-13(2,17(3)4)8-16-12(18)10-7-9(14)5-6-11(10)15/h5-7H,8,15H2,1-4H3,(H,16,18)
InChIKeyBUWZMMRAQPBUIE-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.48
Rot. Bonds4

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

2-amino-N-[2-(dimethylamino)-2-methylpropyl]-5-fluorobenzamide (PubChem CID 54979124) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)-2-methylpropyl]-5-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)-2-methylpropyl]-5-fluorobenzamide
PubChem CID54979124
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name2-amino-N-[2-(dimethylamino)-2-methylpropyl]-5-fluorobenzamide
SMILESCN(C)C(C)(C)CNC(=O)c1cc(F)ccc1N
InChIInChI=1S/C13H20FN3O/c1-13(2,17(3)4)8-16-12(18)10-7-9(14)5-6-11(10)15/h5-7H,8,15H2,1-4H3,(H,16,18)
InChIKeyBUWZMMRAQPBUIE-UHFFFAOYSA-N
XLogP1.48
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.48
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
3-amino-N-[2-(dimethylamino)-2-methylpropyl]-2,5-difluorobenzamide
CID 107120916
2-amino-5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 113478497
2-amino-N-[2-(dimethylamino)propyl]-5-fluorobenzamide
CID 54916025
2-amino-N-tert-butyl-5-fluorobenzamide
CID 43132548
N-[2-(dimethylamino)-2-methylpropyl]-2,3-difluorobenzamide
CID 62660764
N-(2-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide
CID 81483150
2-amino-5-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
CID 106179911
2-amino-5-fluoro-N,N-dimethylbenzamide;hydrochloride
CID 75414598
3-amino-N-[2-(dimethylamino)-2-methylpropyl]-4-methylbenzamide
CID 54979034
N-[2-(dimethylamino)-2-methylpropyl]-3-fluoropyridine-4-carboxamide
CID 115646224
4-bromo-N-[2-(dimethylamino)-2-methylpropyl]-2-sulfanylbenzamide
CID 107026858

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)-2-methylpropyl]-5-fluorobenzamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)-2-methylpropyl]-5-fluorobenzamide (CID 54979124) is 2-amino-N-[2-(dimethylamino)-2-methylpropyl]-5-fluorobenzamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)-2-methylpropyl]-5-fluorobenzamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)-2-methylpropyl]-5-fluorobenzamide is CN(C)C(C)(C)CNC(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)-2-methylpropyl]-5-fluorobenzamide?
The InChIKey is BUWZMMRAQPBUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-13(2,17(3)4)8-16-12(18)10-7-9(14)5-6-11(10)15/h5-7H,8,15H2,1-4H3,(H,16,18).
What are the key properties of 2-amino-N-[2-(dimethylamino)-2-methylpropyl]-5-fluorobenzamide?
2-amino-N-[2-(dimethylamino)-2-methylpropyl]-5-fluorobenzamide has a molecular weight of 253.32 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)-2-methylpropyl]-5-fluorobenzamide is sourced from PubChem (CID 54979124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).