N-(4-aminobutan-2-yl)-5-fluoro-2-hydroxy-N-methylbenzamide

C12H17FN2O2 — CID 113281484

IUPACN-(4-aminobutan-2-yl)-5-fluoro-2-hydroxy-N-methylbenzamide
SMILESCC(CCN)N(C)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C12H17FN2O2/c1-8(5-6-14)15(2)12(17)10-7-9(13)3-4-11(10)16/h3-4,7-8,16H,5-6,14H2,1-2H3
InChIKeyUOTZJUJFMXDIRO-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.34
Rot. Bonds4

About N-(4-aminobutan-2-yl)-5-fluoro-2-hydroxy-N-methylbenzamide

N-(4-aminobutan-2-yl)-5-fluoro-2-hydroxy-N-methylbenzamide (PubChem CID 113281484) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)-5-fluoro-2-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)-5-fluoro-2-hydroxy-N-methylbenzamide
PubChem CID113281484
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC NameN-(4-aminobutan-2-yl)-5-fluoro-2-hydroxy-N-methylbenzamide
SMILESCC(CCN)N(C)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C12H17FN2O2/c1-8(5-6-14)15(2)12(17)10-7-9(13)3-4-11(10)16/h3-4,7-8,16H,5-6,14H2,1-2H3
InChIKeyUOTZJUJFMXDIRO-UHFFFAOYSA-N
XLogP1.34
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-1-sulfanylidenepropan-2-yl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 113281571
N-(4-aminobutan-2-yl)-3,4-dihydroxy-N-methylbenzamide
CID 107727840
N-(2-aminopropyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 115299640
tert-butyl (2R)-2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]propanoate
CID 124608391
N-(5-aminopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 107206606
N-(3-aminopropyl)-5-fluoro-2-hydroxy-N-propylbenzamide
CID 113281479
4-fluoro-2-hydroxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 113346483
N-(1-aminopropan-2-yl)-2-chloro-4-fluoro-N-methylbenzamide;hydrochloride
CID 119584840
2-fluoro-4-hydroxy-N-methyl-N-pentan-2-ylbenzamide
CID 113355617
N-(2-bromoethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 115299557
N-(1-bromopropan-2-yl)-2,5-dihydroxy-N-methylbenzamide
CID 107726127
N-(1-amino-4,4-dimethylpentan-3-yl)-5-fluoro-2-hydroxybenzamide
CID 106356974

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)-5-fluoro-2-hydroxy-N-methylbenzamide?
The IUPAC name of N-(4-aminobutan-2-yl)-5-fluoro-2-hydroxy-N-methylbenzamide (CID 113281484) is N-(4-aminobutan-2-yl)-5-fluoro-2-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)-5-fluoro-2-hydroxy-N-methylbenzamide?
The canonical SMILES for N-(4-aminobutan-2-yl)-5-fluoro-2-hydroxy-N-methylbenzamide is CC(CCN)N(C)C(=O)c1cc(F)ccc1O.
What is the InChIKey of N-(4-aminobutan-2-yl)-5-fluoro-2-hydroxy-N-methylbenzamide?
The InChIKey is UOTZJUJFMXDIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8(5-6-14)15(2)12(17)10-7-9(13)3-4-11(10)16/h3-4,7-8,16H,5-6,14H2,1-2H3.
What are the key properties of N-(4-aminobutan-2-yl)-5-fluoro-2-hydroxy-N-methylbenzamide?
N-(4-aminobutan-2-yl)-5-fluoro-2-hydroxy-N-methylbenzamide has a molecular weight of 240.28 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)-5-fluoro-2-hydroxy-N-methylbenzamide is sourced from PubChem (CID 113281484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).