2-amino-N-tert-butyl-5-fluorobenzamide

C11H15FN2O — CID 43132548

IUPAC2-amino-N-tert-butyl-5-fluorobenzamide
SMILESCC(C)(C)NC(=O)c1cc(F)ccc1N
InChIInChI=1S/C11H15FN2O/c1-11(2,3)14-10(15)8-6-7(12)4-5-9(8)13/h4-6H,13H2,1-3H3,(H,14,15)
InChIKeyXQLIJEZRKSIDJZ-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.94
Rot. Bonds1

About 2-amino-N-tert-butyl-5-fluorobenzamide

2-amino-N-tert-butyl-5-fluorobenzamide (PubChem CID 43132548) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 2-amino-N-tert-butyl-5-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-tert-butyl-5-fluorobenzamide
PubChem CID43132548
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name2-amino-N-tert-butyl-5-fluorobenzamide
SMILESCC(C)(C)NC(=O)c1cc(F)ccc1N
InChIInChI=1S/C11H15FN2O/c1-11(2,3)14-10(15)8-6-7(12)4-5-9(8)13/h4-6H,13H2,1-3H3,(H,14,15)
InChIKeyXQLIJEZRKSIDJZ-UHFFFAOYSA-N
XLogP1.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-N-tert-butyl-5-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
CID 106179911
(2R)-2-[(2-amino-5-fluorobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 103927182
2-[(2-amino-5-fluorobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61160435
1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide
CID 141420303
N-tert-butyl-5-fluoro-2-(2,2,2-trifluoroethyl)benzamide
CID 138963598
2-amino-N-[2-(dimethylamino)-2-methylpropyl]-5-fluorobenzamide
CID 54979124
2-amino-5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 113478497
2-amino-N-cyano-5-fluorobenzamide
CID 79195015
2-amino-N-cyclopropyl-5-fluorobenzamide
CID 22493342
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-5-fluorobenzamide
CID 81354408
2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid
CID 61157616
2-amino-5-fluoro-N-(3-methylphenyl)benzamide
CID 43132634

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-tert-butyl-5-fluorobenzamide?
The IUPAC name of 2-amino-N-tert-butyl-5-fluorobenzamide (CID 43132548) is 2-amino-N-tert-butyl-5-fluorobenzamide.
What is the SMILES notation for 2-amino-N-tert-butyl-5-fluorobenzamide?
The canonical SMILES for 2-amino-N-tert-butyl-5-fluorobenzamide is CC(C)(C)NC(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-amino-N-tert-butyl-5-fluorobenzamide?
The InChIKey is XQLIJEZRKSIDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-11(2,3)14-10(15)8-6-7(12)4-5-9(8)13/h4-6H,13H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-N-tert-butyl-5-fluorobenzamide?
2-amino-N-tert-butyl-5-fluorobenzamide has a molecular weight of 210.25 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-tert-butyl-5-fluorobenzamide is sourced from PubChem (CID 43132548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).