2-amino-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzamide

C14H19FN2O2 — CID 61430574

IUPAC2-amino-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzamide
SMILESCN(CC1CCCCO1)C(=O)c1cc(F)ccc1N
InChIInChI=1S/C14H19FN2O2/c1-17(9-11-4-2-3-7-19-11)14(18)12-8-10(15)5-6-13(12)16/h5-6,8,11H,2-4,7,9,16H2,1H3
InChIKeyJJGWWTSUCAPUQK-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.05
Rot. Bonds3

About 2-amino-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzamide

2-amino-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzamide (PubChem CID 61430574) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzamide
PubChem CID61430574
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-amino-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzamide
SMILESCN(CC1CCCCO1)C(=O)c1cc(F)ccc1N
InChIInChI=1S/C14H19FN2O2/c1-17(9-11-4-2-3-7-19-11)14(18)12-8-10(15)5-6-13(12)16/h5-6,8,11H,2-4,7,9,16H2,1H3
InChIKeyJJGWWTSUCAPUQK-UHFFFAOYSA-N
XLogP2.05
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2,4-difluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61430371
5-amino-2-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430467
2-fluoro-N-methyl-N-(oxan-2-ylmethyl)-5-sulfanylbenzamide
CID 107024526
2-amino-3-fluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 55100104
2-amino-5-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 55257844
4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119746333
2-amino-3-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 115540489
2-hydroxy-N,5-dimethyl-N-(oxan-2-ylmethyl)benzamide
CID 47344741
2-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 61435800
5-amino-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 61435982
3-fluoro-2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 105387899
2-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436423

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzamide?
The IUPAC name of 2-amino-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzamide (CID 61430574) is 2-amino-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzamide?
The canonical SMILES for 2-amino-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzamide is CN(CC1CCCCO1)C(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-amino-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzamide?
The InChIKey is JJGWWTSUCAPUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-17(9-11-4-2-3-7-19-11)14(18)12-8-10(15)5-6-13(12)16/h5-6,8,11H,2-4,7,9,16H2,1H3.
What are the key properties of 2-amino-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzamide?
2-amino-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzamide has a molecular weight of 266.32 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzamide is sourced from PubChem (CID 61430574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).