4-fluoro-3-[(oxan-4-ylamino)methyl]benzamide

C13H17FN2O2 — CID 43610147

IUPAC4-fluoro-3-[(oxan-4-ylamino)methyl]benzamide
SMILESNC(=O)c1ccc(F)c(CNC2CCOCC2)c1
InChIInChI=1S/C13H17FN2O2/c14-12-2-1-9(13(15)17)7-10(12)8-16-11-3-5-18-6-4-11/h1-2,7,11,16H,3-6,8H2,(H2,15,17)
InChIKeySUCTXAHZYRNZOE-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.19
Rot. Bonds4

About 4-fluoro-3-[(oxan-4-ylamino)methyl]benzamide

4-fluoro-3-[(oxan-4-ylamino)methyl]benzamide (PubChem CID 43610147) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 4-fluoro-3-[(oxan-4-ylamino)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[(oxan-4-ylamino)methyl]benzamide
PubChem CID43610147
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name4-fluoro-3-[(oxan-4-ylamino)methyl]benzamide
SMILESNC(=O)c1ccc(F)c(CNC2CCOCC2)c1
InChIInChI=1S/C13H17FN2O2/c14-12-2-1-9(13(15)17)7-10(12)8-16-11-3-5-18-6-4-11/h1-2,7,11,16H,3-6,8H2,(H2,15,17)
InChIKeySUCTXAHZYRNZOE-UHFFFAOYSA-N
XLogP1.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-[[(3-methylcyclohexyl)amino]methyl]benzamide
CID 43317879
N-[(2-fluoro-5-methylphenyl)methyl]oxan-4-amine
CID 115632214
4-fluoro-3-[(oxetan-3-ylamino)methyl]benzoic acid
CID 107453080
3-fluoro-4-[[(4-methylcyclohexyl)amino]methyl]benzamide
CID 28579771
3-[[(4-carbamoylcyclohexyl)amino]methyl]-4-fluorobenzoic acid
CID 107452622
3-[(cyclohexylamino)methyl]-4-fluorobenzoic acid
CID 107452338
4-fluoro-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzamide
CID 114629521
3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorobenzamide
CID 43652118
3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-4-fluorobenzamide
CID 62537793
4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-4-fluorophenyl]benzamide;hydrochloride
CID 68604408
4-fluoro-3-[(propan-2-ylamino)methyl]benzamide
CID 24694362
3-chloro-4-[(thian-4-ylamino)methyl]benzamide
CID 102665132

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(oxan-4-ylamino)methyl]benzamide?
The IUPAC name of 4-fluoro-3-[(oxan-4-ylamino)methyl]benzamide (CID 43610147) is 4-fluoro-3-[(oxan-4-ylamino)methyl]benzamide.
What is the SMILES notation for 4-fluoro-3-[(oxan-4-ylamino)methyl]benzamide?
The canonical SMILES for 4-fluoro-3-[(oxan-4-ylamino)methyl]benzamide is NC(=O)c1ccc(F)c(CNC2CCOCC2)c1.
What is the InChIKey of 4-fluoro-3-[(oxan-4-ylamino)methyl]benzamide?
The InChIKey is SUCTXAHZYRNZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-12-2-1-9(13(15)17)7-10(12)8-16-11-3-5-18-6-4-11/h1-2,7,11,16H,3-6,8H2,(H2,15,17).
What are the key properties of 4-fluoro-3-[(oxan-4-ylamino)methyl]benzamide?
4-fluoro-3-[(oxan-4-ylamino)methyl]benzamide has a molecular weight of 252.29 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(oxan-4-ylamino)methyl]benzamide is sourced from PubChem (CID 43610147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).