N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxybenzamide

C12H17FN2O2 — CID 115365585

IUPACN-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxybenzamide
SMILESCC(C)(CN)CNC(=O)c1cc(F)ccc1O
InChIInChI=1S/C12H17FN2O2/c1-12(2,6-14)7-15-11(17)9-5-8(13)3-4-10(9)16/h3-5,16H,6-7,14H2,1-2H3,(H,15,17)
InChIKeyAYKPYIDLYJWRTI-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.25
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxybenzamide

N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxybenzamide (PubChem CID 115365585) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxybenzamide
PubChem CID115365585
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxybenzamide
SMILESCC(C)(CN)CNC(=O)c1cc(F)ccc1O
InChIInChI=1S/C12H17FN2O2/c1-12(2,6-14)7-15-11(17)9-5-8(13)3-4-10(9)16/h3-5,16H,6-7,14H2,1-2H3,(H,15,17)
InChIKeyAYKPYIDLYJWRTI-UHFFFAOYSA-N
XLogP1.25
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2,2-dimethylbutyl)-5-fluoro-2-hydroxybenzamide
CID 106142770
N-(4-amino-2,2-dimethylbutyl)-2,5-difluorobenzamide
CID 106139692
N-ethyl-5-fluoro-2-hydroxybenzamide
CID 79531934
N-(2-amino-3-ethylpentyl)-5-fluoro-2-hydroxybenzamide
CID 106286447
5-fluoro-2-hydroxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111860656
N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-4-methylbenzamide
CID 115365709
5-fluoro-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 67742481
N-(4-chloro-2-methylbutyl)-5-fluoro-2-hydroxybenzamide
CID 115299603
N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxy-N-propylbenzamide
CID 115299448
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-5-fluoro-2-hydroxybenzamide
CID 111860663
N-(3-amino-2,2-dimethylpropyl)-2,3-difluorobenzamide
CID 115365588
2-bromo-N-(3-chloro-2,2-dimethylpropyl)-5-fluorobenzamide
CID 115364720

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxybenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxybenzamide (CID 115365585) is N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxybenzamide is CC(C)(CN)CNC(=O)c1cc(F)ccc1O.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxybenzamide?
The InChIKey is AYKPYIDLYJWRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-12(2,6-14)7-15-11(17)9-5-8(13)3-4-10(9)16/h3-5,16H,6-7,14H2,1-2H3,(H,15,17).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxybenzamide?
N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxybenzamide has a molecular weight of 240.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 115365585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).