5-amino-2,4-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide

C13H16F2N2O2 — CID 114628200

IUPAC5-amino-2,4-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
SMILESCC1(C)C(O)CC1NC(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C13H16F2N2O2/c1-13(2)10(5-11(13)18)17-12(19)6-3-9(16)8(15)4-7(6)14/h3-4,10-11,18H,5,16H2,1-2H3,(H,17,19)
InChIKeyDBRZLDWSMIYSJI-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.44
Rot. Bonds2

About 5-amino-2,4-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide

5-amino-2,4-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide (PubChem CID 114628200) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
PubChem CID114628200
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name5-amino-2,4-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
SMILESCC1(C)C(O)CC1NC(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C13H16F2N2O2/c1-13(2)10(5-11(13)18)17-12(19)6-3-9(16)8(15)4-7(6)14/h3-4,10-11,18H,5,16H2,1-2H3,(H,17,19)
InChIKeyDBRZLDWSMIYSJI-UHFFFAOYSA-N
XLogP1.44
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.44
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

3-amino-5-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114628218
2-bromo-5-fluoro-N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]benzamide
CID 124572619
5-amino-N-cyclopentyl-2,4-difluorobenzamide
CID 61091643
3-bromo-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 104956529
3-chloro-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114631205
2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)thiophene-3-carboxamide
CID 104956536
2-bromo-N-[(1S,3R)-3-hydroxy-2,2-dimethylcyclobutyl]-5-methylbenzamide
CID 129381319
3-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)thiophene-2-carboxamide
CID 114628267
2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114629951
2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 104956514
2-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,5-diiodobenzamide
CID 114630704
4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylpyrazole-5-carboxamide
CID 114628278

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide?
The IUPAC name of 5-amino-2,4-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide (CID 114628200) is 5-amino-2,4-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide is CC1(C)C(O)CC1NC(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide?
The InChIKey is DBRZLDWSMIYSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c1-13(2)10(5-11(13)18)17-12(19)6-3-9(16)8(15)4-7(6)14/h3-4,10-11,18H,5,16H2,1-2H3,(H,17,19).
What are the key properties of 5-amino-2,4-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide?
5-amino-2,4-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide has a molecular weight of 270.28 g/mol, XLogP of 1.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide is sourced from PubChem (CID 114628200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).