N-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]-2-methylpropanamide

C16H17FN2O2 — CID 42691217

IUPACN-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]-2-methylpropanamide
SMILESCc1cc(Oc2ccc(NC(=O)C(C)C)cn2)ccc1F
InChIInChI=1S/C16H17FN2O2/c1-10(2)16(20)19-12-4-7-15(18-9-12)21-13-5-6-14(17)11(3)8-13/h4-10H,1-3H3,(H,19,20)
InChIKeyDSWWCHQFKLHIQO-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.92
Rot. Bonds4

About N-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]-2-methylpropanamide

N-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]-2-methylpropanamide (PubChem CID 42691217) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]-2-methylpropanamide
PubChem CID42691217
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC NameN-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]-2-methylpropanamide
SMILESCc1cc(Oc2ccc(NC(=O)C(C)C)cn2)ccc1F
InChIInChI=1S/C16H17FN2O2/c1-10(2)16(20)19-12-4-7-15(18-9-12)21-13-5-6-14(17)11(3)8-13/h4-10H,1-3H3,(H,19,20)
InChIKeyDSWWCHQFKLHIQO-UHFFFAOYSA-N
XLogP3.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]-2-methylpropanamide?
The IUPAC name of N-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]-2-methylpropanamide (CID 42691217) is N-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for N-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]-2-methylpropanamide?
The canonical SMILES for N-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]-2-methylpropanamide is Cc1cc(Oc2ccc(NC(=O)C(C)C)cn2)ccc1F.
What is the InChIKey of N-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]-2-methylpropanamide?
The InChIKey is DSWWCHQFKLHIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-10(2)16(20)19-12-4-7-15(18-9-12)21-13-5-6-14(17)11(3)8-13/h4-10H,1-3H3,(H,19,20).
What are the key properties of N-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]-2-methylpropanamide?
N-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]-2-methylpropanamide has a molecular weight of 288.32 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 42691217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).