2-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide

C13H17FN2O2 — CID 62662241

IUPAC2-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide
SMILESNc1c(F)cccc1C(=O)NCC1CCCCO1
InChIInChI=1S/C13H17FN2O2/c14-11-6-3-5-10(12(11)15)13(17)16-8-9-4-1-2-7-18-9/h3,5-6,9H,1-2,4,7-8,15H2,(H,16,17)
InChIKeyNOBSWHMQUDPCFW-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.71
Rot. Bonds3

About 2-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide

2-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide (PubChem CID 62662241) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide
PubChem CID62662241
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name2-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide
SMILESNc1c(F)cccc1C(=O)NCC1CCCCO1
InChIInChI=1S/C13H17FN2O2/c14-11-6-3-5-10(12(11)15)13(17)16-8-9-4-1-2-7-18-9/h3,5-6,9H,1-2,4,7-8,15H2,(H,16,17)
InChIKeyNOBSWHMQUDPCFW-UHFFFAOYSA-N
XLogP1.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide?
The IUPAC name of 2-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide (CID 62662241) is 2-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide?
The canonical SMILES for 2-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide is Nc1c(F)cccc1C(=O)NCC1CCCCO1.
What is the InChIKey of 2-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide?
The InChIKey is NOBSWHMQUDPCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-11-6-3-5-10(12(11)15)13(17)16-8-9-4-1-2-7-18-9/h3,5-6,9H,1-2,4,7-8,15H2,(H,16,17).
What are the key properties of 2-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide?
2-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide has a molecular weight of 252.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide is sourced from PubChem (CID 62662241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).