4-amino-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide

C11H15FN2O2 — CID 65104066

IUPAC4-amino-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
SMILESCC(C)(O)CNC(=O)c1ccc(N)cc1F
InChIInChI=1S/C11H15FN2O2/c1-11(2,16)6-14-10(15)8-4-3-7(13)5-9(8)12/h3-5,16H,6,13H2,1-2H3,(H,14,15)
InChIKeyLSPVTSXREDXZQS-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.91
Rot. Bonds3

About 4-amino-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide

4-amino-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide (PubChem CID 65104066) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 4-amino-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-amino-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
PubChem CID65104066
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name4-amino-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
SMILESCC(C)(O)CNC(=O)c1ccc(N)cc1F
InChIInChI=1S/C11H15FN2O2/c1-11(2,16)6-14-10(15)8-4-3-7(13)5-9(8)12/h3-5,16H,6,13H2,1-2H3,(H,14,15)
InChIKeyLSPVTSXREDXZQS-UHFFFAOYSA-N
XLogP0.91
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 113293421
4-amino-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide
CID 83142817
4-amino-2-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide
CID 80526929
2-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65103861
4-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide;hydrochloride
CID 119709087
4-amino-N-[3-(ethylamino)-3-oxopropyl]-2-fluorobenzamide
CID 113409457
4-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide
CID 63980672
4-amino-2-fluoro-N-(2-methoxypropyl)benzamide
CID 102694265
4-amino-N-[(2-ethylphenyl)methyl]-2-fluorobenzamide
CID 64680864
5-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide
CID 61166278
2,4-dichloro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65109953
2,4-dibromo-N-(2-hydroxy-2-methylpropyl)benzamide
CID 103883047

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide?
The IUPAC name of 4-amino-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide (CID 65104066) is 4-amino-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide.
What is the SMILES notation for 4-amino-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide?
The canonical SMILES for 4-amino-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide is CC(C)(O)CNC(=O)c1ccc(N)cc1F.
What is the InChIKey of 4-amino-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide?
The InChIKey is LSPVTSXREDXZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-11(2,16)6-14-10(15)8-4-3-7(13)5-9(8)12/h3-5,16H,6,13H2,1-2H3,(H,14,15).
What are the key properties of 4-amino-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide?
4-amino-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide has a molecular weight of 226.25 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide is sourced from PubChem (CID 65104066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).