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

C18H21FN2O2 — CID 42691221

IUPACN-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]-3,3-dimethylbutanamide
SMILESCc1cc(Oc2ccc(NC(=O)CC(C)(C)C)cn2)ccc1F
InChIInChI=1S/C18H21FN2O2/c1-12-9-14(6-7-15(12)19)23-17-8-5-13(11-20-17)21-16(22)10-18(2,3)4/h5-9,11H,10H2,1-4H3,(H,21,22)
InChIKeyZXIABPIGXSZXCE-UHFFFAOYSA-N
MW316.38 g/mol
LogP4.70
Rot. Bonds4

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

N-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]-3,3-dimethylbutanamide (PubChem CID 42691221) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]-3,3-dimethylbutanamide
PubChem CID42691221
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC NameN-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]-3,3-dimethylbutanamide
SMILESCc1cc(Oc2ccc(NC(=O)CC(C)(C)C)cn2)ccc1F
InChIInChI=1S/C18H21FN2O2/c1-12-9-14(6-7-15(12)19)23-17-8-5-13(11-20-17)21-16(22)10-18(2,3)4/h5-9,11H,10H2,1-4H3,(H,21,22)
InChIKeyZXIABPIGXSZXCE-UHFFFAOYSA-N
XLogP4.70
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 54.70
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]-3,3-dimethylbutanamide?
The IUPAC name of N-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]-3,3-dimethylbutanamide (CID 42691221) is N-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]-3,3-dimethylbutanamide is Cc1cc(Oc2ccc(NC(=O)CC(C)(C)C)cn2)ccc1F.
What is the InChIKey of N-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]-3,3-dimethylbutanamide?
The InChIKey is ZXIABPIGXSZXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-12-9-14(6-7-15(12)19)23-17-8-5-13(11-20-17)21-16(22)10-18(2,3)4/h5-9,11H,10H2,1-4H3,(H,21,22).
What are the key properties of N-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]-3,3-dimethylbutanamide?
N-[6-(4-fluoro-3-methylphenoxy)-3-pyridinyl]-3,3-dimethylbutanamide has a molecular weight of 316.38 g/mol, XLogP of 4.70, 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]-3,3-dimethylbutanamide is sourced from PubChem (CID 42691221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).