3-amino-5-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide

C13H17FN2O2 — CID 114628218

IUPAC3-amino-5-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
SMILESCC1(C)C(O)CC1NC(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C13H17FN2O2/c1-13(2)10(6-11(13)17)16-12(18)7-3-8(14)5-9(15)4-7/h3-5,10-11,17H,6,15H2,1-2H3,(H,16,18)
InChIKeyHGCDEZKAPDIAQJ-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.30
Rot. Bonds2

About 3-amino-5-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide

3-amino-5-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide (PubChem CID 114628218) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
PubChem CID114628218
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name3-amino-5-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
SMILESCC1(C)C(O)CC1NC(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C13H17FN2O2/c1-13(2)10(6-11(13)17)16-12(18)7-3-8(14)5-9(15)4-7/h3-5,10-11,17H,6,15H2,1-2H3,(H,16,18)
InChIKeyHGCDEZKAPDIAQJ-UHFFFAOYSA-N
XLogP1.30
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide?
The IUPAC name of 3-amino-5-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide (CID 114628218) is 3-amino-5-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide.
What is the SMILES notation for 3-amino-5-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide?
The canonical SMILES for 3-amino-5-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide is CC1(C)C(O)CC1NC(=O)c1cc(N)cc(F)c1.
What is the InChIKey of 3-amino-5-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide?
The InChIKey is HGCDEZKAPDIAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-13(2)10(6-11(13)17)16-12(18)7-3-8(14)5-9(15)4-7/h3-5,10-11,17H,6,15H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-5-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide?
3-amino-5-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide has a molecular weight of 252.29 g/mol, XLogP of 1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide is sourced from PubChem (CID 114628218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).