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

C13H17FN2O2 — CID 55103122

IUPAC4-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide
SMILESNc1ccc(C(=O)NCC2CCCCO2)cc1F
InChIInChI=1S/C13H17FN2O2/c14-11-7-9(4-5-12(11)15)13(17)16-8-10-3-1-2-6-18-10/h4-5,7,10H,1-3,6,8,15H2,(H,16,17)
InChIKeyRMNGSZVLYBWISA-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.71
Rot. Bonds3

About 4-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide

4-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide (PubChem CID 55103122) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide
PubChem CID55103122
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name4-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide
SMILESNc1ccc(C(=O)NCC2CCCCO2)cc1F
InChIInChI=1S/C13H17FN2O2/c14-11-7-9(4-5-12(11)15)13(17)16-8-10-3-1-2-6-18-10/h4-5,7,10H,1-3,6,8,15H2,(H,16,17)
InChIKeyRMNGSZVLYBWISA-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'}

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Related Compounds

4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
4-amino-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 79078520
3-amino-N-(oxan-2-ylmethyl)benzamide
CID 55013985
3,5-difluoro-4-(methylamino)-N-(oxan-2-ylmethyl)benzamide
CID 63185334
2-fluoro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 55014520
3-fluoro-4-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 55103551
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119300314
3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 55160007
4-amino-N-(2-cyclohexylethyl)-3-fluorobenzamide
CID 62680038
4-amino-N-cyclooctyl-3-fluorobenzamide
CID 62679448

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide?
The IUPAC name of 4-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide (CID 55103122) is 4-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide?
The canonical SMILES for 4-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide is Nc1ccc(C(=O)NCC2CCCCO2)cc1F.
What is the InChIKey of 4-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide?
The InChIKey is RMNGSZVLYBWISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-11-7-9(4-5-12(11)15)13(17)16-8-10-3-1-2-6-18-10/h4-5,7,10H,1-3,6,8,15H2,(H,16,17).
What are the key properties of 4-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide?
4-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 4-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide is sourced from PubChem (CID 55103122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).