2-amino-5-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide

C13H17FN2O3 — CID 104758342

IUPAC2-amino-5-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
SMILESCOC1(CNC(=O)c2cc(F)ccc2N)CCOC1
InChIInChI=1S/C13H17FN2O3/c1-18-13(4-5-19-8-13)7-16-12(17)10-6-9(14)2-3-11(10)15/h2-3,6H,4-5,7-8,15H2,1H3,(H,16,17)
InChIKeyGJVAOIGQVSJIAP-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.94
Rot. Bonds4

About 2-amino-5-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide

2-amino-5-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide (PubChem CID 104758342) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
PubChem CID104758342
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name2-amino-5-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
SMILESCOC1(CNC(=O)c2cc(F)ccc2N)CCOC1
InChIInChI=1S/C13H17FN2O3/c1-18-13(4-5-19-8-13)7-16-12(17)10-6-9(14)2-3-11(10)15/h2-3,6H,4-5,7-8,15H2,1H3,(H,16,17)
InChIKeyGJVAOIGQVSJIAP-UHFFFAOYSA-N
XLogP0.94
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-5-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]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-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylbenzamide
CID 104758367
3-amino-2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758375
3-bromo-4-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104709027
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide
CID 104765747
3-amino-2-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758296
3-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide
CID 104761387
5-chloro-2-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104708991
2-amino-5-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65117687
3-amino-5-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758337
5-amino-2-fluoro-4-[(3-methoxyoxolan-3-yl)methylamino]benzoic acid
CID 104759017
4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1-methylpyrazole-5-carboxamide
CID 104758335
(3-methoxyoxolan-3-yl)methylurea
CID 104704481

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide?
The IUPAC name of 2-amino-5-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide (CID 104758342) is 2-amino-5-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide.
What is the SMILES notation for 2-amino-5-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide?
The canonical SMILES for 2-amino-5-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide is COC1(CNC(=O)c2cc(F)ccc2N)CCOC1.
What is the InChIKey of 2-amino-5-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide?
The InChIKey is GJVAOIGQVSJIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-18-13(4-5-19-8-13)7-16-12(17)10-6-9(14)2-3-11(10)15/h2-3,6H,4-5,7-8,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-5-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide?
2-amino-5-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide has a molecular weight of 268.29 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide is sourced from PubChem (CID 104758342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).