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

C16H17FN2O2 — CID 42691215

IUPACN-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(Oc2ccc(F)c(C)c2)nc1
InChIInChI=1S/C16H17FN2O2/c1-3-4-15(20)19-12-5-8-16(18-10-12)21-13-6-7-14(17)11(2)9-13/h5-10H,3-4H2,1-2H3,(H,19,20)
InChIKeyNNAFBMVSQPFDIG-UHFFFAOYSA-N
MW288.32 g/mol
LogP4.06
Rot. Bonds5

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

N-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]butanamide (PubChem CID 42691215) 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]butanamide.

Molecular Properties

Compound NameN-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]butanamide
PubChem CID42691215
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC NameN-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(Oc2ccc(F)c(C)c2)nc1
InChIInChI=1S/C16H17FN2O2/c1-3-4-15(20)19-12-5-8-16(18-10-12)21-13-6-7-14(17)11(2)9-13/h5-10H,3-4H2,1-2H3,(H,19,20)
InChIKeyNNAFBMVSQPFDIG-UHFFFAOYSA-N
XLogP4.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 54.06
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]butanamide?
The IUPAC name of N-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]butanamide (CID 42691215) is N-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]butanamide.
What is the SMILES notation for N-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]butanamide?
The canonical SMILES for N-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]butanamide is CCCC(=O)Nc1ccc(Oc2ccc(F)c(C)c2)nc1.
What is the InChIKey of N-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]butanamide?
The InChIKey is NNAFBMVSQPFDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-3-4-15(20)19-12-5-8-16(18-10-12)21-13-6-7-14(17)11(2)9-13/h5-10H,3-4H2,1-2H3,(H,19,20).
What are the key properties of N-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]butanamide?
N-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]butanamide has a molecular weight of 288.32 g/mol, XLogP of 4.06, 5 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]butanamide is sourced from PubChem (CID 42691215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).