3-[(6-fluoro-2-pyridinyl)oxy]-N,N-dimethylbenzamide

C14H13FN2O2 — CID 23441684

IUPAC3-[(6-fluoro-2-pyridinyl)oxy]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(Oc2cccc(F)n2)c1
InChIInChI=1S/C14H13FN2O2/c1-17(2)14(18)10-5-3-6-11(9-10)19-13-8-4-7-12(15)16-13/h3-9H,1-2H3
InChIKeyRQHQWCNNVKIWAI-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.71
Rot. Bonds3

About 3-[(6-fluoro-2-pyridinyl)oxy]-N,N-dimethylbenzamide

3-[(6-fluoro-2-pyridinyl)oxy]-N,N-dimethylbenzamide (PubChem CID 23441684) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 3-[(6-fluoro-2-pyridinyl)oxy]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(6-fluoro-2-pyridinyl)oxy]-N,N-dimethylbenzamide
PubChem CID23441684
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name3-[(6-fluoro-2-pyridinyl)oxy]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(Oc2cccc(F)n2)c1
InChIInChI=1S/C14H13FN2O2/c1-17(2)14(18)10-5-3-6-11(9-10)19-13-8-4-7-12(15)16-13/h3-9H,1-2H3
InChIKeyRQHQWCNNVKIWAI-UHFFFAOYSA-N
XLogP2.71
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-3-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]benzamide
CID 122144873
4-[(6-fluoro-2-pyridinyl)oxy]benzamide
CID 61229161
1-(dimethylcarbamoyl)-3-fluorosulfonyloxybenzene
CID 154880190
3-(4-amino-3-chlorophenoxy)-N,N-dimethylbenzamide
CID 118138252
N,N-dimethyl-3-propoxybenzamide
CID 28639811
3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide
CID 167758770
methyl 3-[(6-chloro-2-pyridinyl)oxy]benzoate
CID 3784687
2,6-bis(3-cyanophenoxy)-N,N-dimethylpyridine-3-carboxamide
CID 10596169
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645
3-[2-(hydroxyamino)-5-[(1S)-1-hydroxyethyl]phenoxy]-N,N-dimethylbenzamide
CID 126961330
3-[2-(4-fluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide
CID 109416235
3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-N,N,4-trimethylbenzamide
CID 10993555

Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoro-2-pyridinyl)oxy]-N,N-dimethylbenzamide?
The IUPAC name of 3-[(6-fluoro-2-pyridinyl)oxy]-N,N-dimethylbenzamide (CID 23441684) is 3-[(6-fluoro-2-pyridinyl)oxy]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(6-fluoro-2-pyridinyl)oxy]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(6-fluoro-2-pyridinyl)oxy]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(Oc2cccc(F)n2)c1.
What is the InChIKey of 3-[(6-fluoro-2-pyridinyl)oxy]-N,N-dimethylbenzamide?
The InChIKey is RQHQWCNNVKIWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-17(2)14(18)10-5-3-6-11(9-10)19-13-8-4-7-12(15)16-13/h3-9H,1-2H3.
What are the key properties of 3-[(6-fluoro-2-pyridinyl)oxy]-N,N-dimethylbenzamide?
3-[(6-fluoro-2-pyridinyl)oxy]-N,N-dimethylbenzamide has a molecular weight of 260.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoro-2-pyridinyl)oxy]-N,N-dimethylbenzamide is sourced from PubChem (CID 23441684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).