4-amino-3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide

C12H17FN2O3 — CID 106151971

IUPAC4-amino-3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
SMILESCOCC(CCO)NC(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C12H17FN2O3/c1-18-7-9(4-5-16)15-12(17)8-2-3-11(14)10(13)6-8/h2-3,6,9,16H,4-5,7,14H2,1H3,(H,15,17)
InChIKeyLAEROEUMTXGHDK-UHFFFAOYSA-N
MW256.28 g/mol
LogP0.54
Rot. Bonds6

About 4-amino-3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide

4-amino-3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide (PubChem CID 106151971) has the molecular formula C12H17FN2O3 and a molecular weight of 256.28 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
PubChem CID106151971
Molecular FormulaC12H17FN2O3
Molecular Weight256.28 g/mol
Exact Mass256.12
IUPAC Name4-amino-3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
SMILESCOCC(CCO)NC(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C12H17FN2O3/c1-18-7-9(4-5-16)15-12(17)8-2-3-11(14)10(13)6-8/h2-3,6,9,16H,4-5,7,14H2,1H3,(H,15,17)
InChIKeyLAEROEUMTXGHDK-UHFFFAOYSA-N
XLogP0.54
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylbenzamide
CID 113264488
4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methoxybenzamide
CID 103850770
4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzamide
CID 83176506
3,4-difluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzamide
CID 114078926
3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide
CID 113434933
N-(4-bromo-1-methoxybutan-2-yl)-3,4-difluorobenzamide
CID 114151343
3-fluoro-N-(1-hydroxypentan-3-yl)-4-methoxybenzamide
CID 109478916
3-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide
CID 103851083
methyl (2S)-2-[(4-amino-3-fluorobenzoyl)amino]propanoate
CID 55159256
4-bromo-N-(4-chloro-1-methoxybutan-2-yl)-3-fluorobenzamide
CID 106155489
3-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methoxybenzamide
CID 103850888
N-(4-hydroxy-1-methoxybutan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 103799428

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide?
The IUPAC name of 4-amino-3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide (CID 106151971) is 4-amino-3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide?
The canonical SMILES for 4-amino-3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide is COCC(CCO)NC(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide?
The InChIKey is LAEROEUMTXGHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3/c1-18-7-9(4-5-16)15-12(17)8-2-3-11(14)10(13)6-8/h2-3,6,9,16H,4-5,7,14H2,1H3,(H,15,17).
What are the key properties of 4-amino-3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide?
4-amino-3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide has a molecular weight of 256.28 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide is sourced from PubChem (CID 106151971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).