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

C11H15FN2O2 — CID 83176506

IUPAC4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzamide
SMILESCC(CCO)NC(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C11H15FN2O2/c1-7(4-5-15)14-11(16)8-2-3-10(13)9(12)6-8/h2-3,6-7,15H,4-5,13H2,1H3,(H,14,16)
InChIKeyOJJUCFWHLADTKB-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.91
Rot. Bonds4

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

4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzamide (PubChem CID 83176506) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzamide
PubChem CID83176506
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzamide
SMILESCC(CCO)NC(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C11H15FN2O2/c1-7(4-5-15)14-11(16)8-2-3-10(13)9(12)6-8/h2-3,6-7,15H,4-5,13H2,1H3,(H,14,16)
InChIKeyOJJUCFWHLADTKB-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-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106151971
methyl (2S)-2-[(4-amino-3-fluorobenzoyl)amino]propanoate
CID 55159256
4-amino-3-fluoro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 62678143
4-amino-3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 62680619
2-amino-4,5-difluoro-N-(4-hydroxybutan-2-yl)benzamide
CID 83177939
4-amino-3-fluoro-N-[(1S)-1-phenylethyl]benzamide
CID 55251408
4-amino-3-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 62678517
3-amino-5-fluoro-N-(4-hydroxybutan-2-yl)benzamide
CID 83183642
3-amino-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide
CID 82945495
3-amino-4-fluoro-N-(6-methylheptan-2-yl)benzamide
CID 61111337
3,4-dichloro-N-[(2S)-4-hydroxybutan-2-yl]benzamide
CID 97019669
3,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254979

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzamide?
The IUPAC name of 4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzamide (CID 83176506) is 4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzamide?
The canonical SMILES for 4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzamide is CC(CCO)NC(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzamide?
The InChIKey is OJJUCFWHLADTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-7(4-5-15)14-11(16)8-2-3-10(13)9(12)6-8/h2-3,6-7,15H,4-5,13H2,1H3,(H,14,16).
What are the key properties of 4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzamide?
4-amino-3-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 4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzamide is sourced from PubChem (CID 83176506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).