2-[fluoro(oxan-4-yl)amino]benzamide

C12H15FN2O2 — CID 142782689

IUPAC2-[fluoro(oxan-4-yl)amino]benzamide
SMILESNC(=O)c1ccccc1N(F)C1CCOCC1
InChIInChI=1S/C12H15FN2O2/c13-15(9-5-7-17-8-6-9)11-4-2-1-3-10(11)12(14)16/h1-4,9H,5-8H2,(H2,14,16)
InChIKeyJIAKDUBXYRTHGB-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.66
Rot. Bonds3

About 2-[fluoro(oxan-4-yl)amino]benzamide

2-[fluoro(oxan-4-yl)amino]benzamide (PubChem CID 142782689) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-[fluoro(oxan-4-yl)amino]benzamide.

Molecular Properties

Compound Name2-[fluoro(oxan-4-yl)amino]benzamide
PubChem CID142782689
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name2-[fluoro(oxan-4-yl)amino]benzamide
SMILESNC(=O)c1ccccc1N(F)C1CCOCC1
InChIInChI=1S/C12H15FN2O2/c13-15(9-5-7-17-8-6-9)11-4-2-1-3-10(11)12(14)16/h1-4,9H,5-8H2,(H2,14,16)
InChIKeyJIAKDUBXYRTHGB-UHFFFAOYSA-N
XLogP1.66
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[fluoro(oxan-4-yl)amino]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

N-fluoro-N-(oxan-4-yl)-2-phenylbenzamide
CID 90320191
2-amino-N-methyl-N-(oxan-4-yl)benzamide
CID 43610601
3-amino-2-(oxan-4-yloxy)benzamide
CID 112579800
2-(oxolan-3-yloxy)benzamide
CID 68643948
2-[propyl(pyrrolidin-3-yl)amino]benzamide
CID 63304357
2-N-cyclopropyl-2-N-(oxan-4-yl)benzene-1,2-diamine
CID 83840943
2-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 90554720
2-(oxan-4-yl)benzoyl iodide
CID 118183273
(2-aminophenyl)-(oxan-4-yl)methanone
CID 64834175
benzene-1,2-dicarboxamide;hydrazine
CID 158131121
1-[2-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanone
CID 63711871
CID 67588186
CID 67588186

Frequently Asked Questions

What is the IUPAC name of 2-[fluoro(oxan-4-yl)amino]benzamide?
The IUPAC name of 2-[fluoro(oxan-4-yl)amino]benzamide (CID 142782689) is 2-[fluoro(oxan-4-yl)amino]benzamide.
What is the SMILES notation for 2-[fluoro(oxan-4-yl)amino]benzamide?
The canonical SMILES for 2-[fluoro(oxan-4-yl)amino]benzamide is NC(=O)c1ccccc1N(F)C1CCOCC1.
What is the InChIKey of 2-[fluoro(oxan-4-yl)amino]benzamide?
The InChIKey is JIAKDUBXYRTHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-15(9-5-7-17-8-6-9)11-4-2-1-3-10(11)12(14)16/h1-4,9H,5-8H2,(H2,14,16).
What are the key properties of 2-[fluoro(oxan-4-yl)amino]benzamide?
2-[fluoro(oxan-4-yl)amino]benzamide has a molecular weight of 238.26 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro(oxan-4-yl)amino]benzamide is sourced from PubChem (CID 142782689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).