3-amino-5-fluoro-N-(4-hydroxybutan-2-yl)benzamide

C11H15FN2O2 — CID 83183642

IUPAC3-amino-5-fluoro-N-(4-hydroxybutan-2-yl)benzamide
SMILESCC(CCO)NC(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C11H15FN2O2/c1-7(2-3-15)14-11(16)8-4-9(12)6-10(13)5-8/h4-7,15H,2-3,13H2,1H3,(H,14,16)
InChIKeyJQCKHVYNYCUSEO-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.91
Rot. Bonds4

About 3-amino-5-fluoro-N-(4-hydroxybutan-2-yl)benzamide

3-amino-5-fluoro-N-(4-hydroxybutan-2-yl)benzamide (PubChem CID 83183642) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-(4-hydroxybutan-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-(4-hydroxybutan-2-yl)benzamide
PubChem CID83183642
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name3-amino-5-fluoro-N-(4-hydroxybutan-2-yl)benzamide
SMILESCC(CCO)NC(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C11H15FN2O2/c1-7(2-3-15)14-11(16)8-4-9(12)6-10(13)5-8/h4-7,15H,2-3,13H2,1H3,(H,14,16)
InChIKeyJQCKHVYNYCUSEO-UHFFFAOYSA-N
XLogP0.91
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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-3-fluoro-N-(4-hydroxybutan-2-yl)benzamide
CID 83176506
N-(4-chlorobutan-2-yl)-3,5-difluorobenzamide
CID 83180651
3,5-difluoro-N-[(2R,4R)-4-hydroxypentan-2-yl]benzamide
CID 97350116
3-bromo-5-fluoro-N-(1-hydroxypropan-2-yl)benzamide
CID 43476832
2-amino-4,5-difluoro-N-(4-hydroxybutan-2-yl)benzamide
CID 83177939
2-[(3,5-difluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61243994
N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-fluorobenzamide;hydrochloride
CID 120507470
3,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79247363
3-amino-5-fluoro-N-(2-methylprop-2-enyl)benzamide
CID 114614947
3-fluoro-N-[(2R)-4-methylsulfonylbutan-2-yl]-5-(trifluoromethyl)benzamide
CID 59897074
N-(4-hydroxybutan-2-yl)-4-methylsulfanylbenzamide
CID 81043332
N-(1-amino-3-methylbutan-2-yl)-3,5-difluorobenzamide
CID 65191559

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-(4-hydroxybutan-2-yl)benzamide?
The IUPAC name of 3-amino-5-fluoro-N-(4-hydroxybutan-2-yl)benzamide (CID 83183642) is 3-amino-5-fluoro-N-(4-hydroxybutan-2-yl)benzamide.
What is the SMILES notation for 3-amino-5-fluoro-N-(4-hydroxybutan-2-yl)benzamide?
The canonical SMILES for 3-amino-5-fluoro-N-(4-hydroxybutan-2-yl)benzamide is CC(CCO)NC(=O)c1cc(N)cc(F)c1.
What is the InChIKey of 3-amino-5-fluoro-N-(4-hydroxybutan-2-yl)benzamide?
The InChIKey is JQCKHVYNYCUSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-7(2-3-15)14-11(16)8-4-9(12)6-10(13)5-8/h4-7,15H,2-3,13H2,1H3,(H,14,16).
What are the key properties of 3-amino-5-fluoro-N-(4-hydroxybutan-2-yl)benzamide?
3-amino-5-fluoro-N-(4-hydroxybutan-2-yl)benzamide has a molecular weight of 226.25 g/mol, XLogP of 0.91, 4 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-(4-hydroxybutan-2-yl)benzamide is sourced from PubChem (CID 83183642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).