3-amino-2-fluoro-N-(2-hydroxy-6-oxopiperidin-3-yl)benzamide

C12H14FN3O3 — CID 177240248

IUPAC3-amino-2-fluoro-N-(2-hydroxy-6-oxopiperidin-3-yl)benzamide
SMILESNc1cccc(C(=O)NC2CCC(=O)NC2O)c1F
InChIInChI=1S/C12H14FN3O3/c13-10-6(2-1-3-7(10)14)11(18)15-8-4-5-9(17)16-12(8)19/h1-3,8,12,19H,4-5,14H2,(H,15,18)(H,16,17)
InChIKeyWDZDWYAFKBWKSK-UHFFFAOYSA-N
MW267.26 g/mol
LogP-0.27
Rot. Bonds2

About 3-amino-2-fluoro-N-(2-hydroxy-6-oxopiperidin-3-yl)benzamide

3-amino-2-fluoro-N-(2-hydroxy-6-oxopiperidin-3-yl)benzamide (PubChem CID 177240248) has the molecular formula C12H14FN3O3 and a molecular weight of 267.26 g/mol. Its IUPAC name is 3-amino-2-fluoro-N-(2-hydroxy-6-oxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-fluoro-N-(2-hydroxy-6-oxopiperidin-3-yl)benzamide
PubChem CID177240248
Molecular FormulaC12H14FN3O3
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC Name3-amino-2-fluoro-N-(2-hydroxy-6-oxopiperidin-3-yl)benzamide
SMILESNc1cccc(C(=O)NC2CCC(=O)NC2O)c1F
InChIInChI=1S/C12H14FN3O3/c13-10-6(2-1-3-7(10)14)11(18)15-8-4-5-9(17)16-12(8)19/h1-3,8,12,19H,4-5,14H2,(H,15,18)(H,16,17)
InChIKeyWDZDWYAFKBWKSK-UHFFFAOYSA-N
XLogP-0.27
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-2-fluoro-N-(2-hydroxy-6-oxopiperidin-3-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

2-fluoro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 80712340
3-amino-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 45086848
3-chloro-N-[2-[(3-chloro-2-fluorobenzoyl)amino]cyclopentyl]-2-fluorobenzamide
CID 154754631
N-cyclopropyl-2,3-difluorobenzamide
CID 62648987
2-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)benzamide
CID 81480777
2-fluoro-3-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 80711647
2,3-difluoro-N-(2-methylcyclopropyl)benzamide
CID 62661294
3-bromo-2-fluoro-N-(2-hydroxycycloheptyl)benzamide
CID 107953230
2-amino-N-(2-methoxycyclopentyl)benzamide
CID 62086922
2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(trifluoromethyl)benzamide
CID 104956750
2-amino-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655074
N-[(1R,2R)-2-aminocyclohexyl]-3-bromo-2-fluorobenzamide
CID 114020422

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-fluoro-N-(2-hydroxy-6-oxopiperidin-3-yl)benzamide?
The IUPAC name of 3-amino-2-fluoro-N-(2-hydroxy-6-oxopiperidin-3-yl)benzamide (CID 177240248) is 3-amino-2-fluoro-N-(2-hydroxy-6-oxopiperidin-3-yl)benzamide.
What is the SMILES notation for 3-amino-2-fluoro-N-(2-hydroxy-6-oxopiperidin-3-yl)benzamide?
The canonical SMILES for 3-amino-2-fluoro-N-(2-hydroxy-6-oxopiperidin-3-yl)benzamide is Nc1cccc(C(=O)NC2CCC(=O)NC2O)c1F.
What is the InChIKey of 3-amino-2-fluoro-N-(2-hydroxy-6-oxopiperidin-3-yl)benzamide?
The InChIKey is WDZDWYAFKBWKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3/c13-10-6(2-1-3-7(10)14)11(18)15-8-4-5-9(17)16-12(8)19/h1-3,8,12,19H,4-5,14H2,(H,15,18)(H,16,17).
What are the key properties of 3-amino-2-fluoro-N-(2-hydroxy-6-oxopiperidin-3-yl)benzamide?
3-amino-2-fluoro-N-(2-hydroxy-6-oxopiperidin-3-yl)benzamide has a molecular weight of 267.26 g/mol, XLogP of -0.27, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-fluoro-N-(2-hydroxy-6-oxopiperidin-3-yl)benzamide is sourced from PubChem (CID 177240248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).