N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-2,2-dimethylpropanamide

C18H21FN2O2 — CID 68842438

IUPACN-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(COCc2ccc(F)cc2)n1
InChIInChI=1S/C18H21FN2O2/c1-18(2,3)17(22)21-16-6-4-5-15(20-16)12-23-11-13-7-9-14(19)10-8-13/h4-10H,11-12H2,1-3H3,(H,20,21,22)
InChIKeyLOHRQBKPRZGTEN-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.92
Rot. Bonds5

About N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-2,2-dimethylpropanamide

N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 68842438) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-2,2-dimethylpropanamide
PubChem CID68842438
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC NameN-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(COCc2ccc(F)cc2)n1
InChIInChI=1S/C18H21FN2O2/c1-18(2,3)17(22)21-16-6-4-5-15(20-16)12-23-11-13-7-9-14(19)10-8-13/h4-10H,11-12H2,1-3H3,(H,20,21,22)
InChIKeyLOHRQBKPRZGTEN-UHFFFAOYSA-N
XLogP3.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
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-fluorophenyl)methoxymethyl]-2-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-2,2-dimethylpropanamide (CID 68842438) is N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cccc(COCc2ccc(F)cc2)n1.
What is the InChIKey of N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is LOHRQBKPRZGTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-18(2,3)17(22)21-16-6-4-5-15(20-16)12-23-11-13-7-9-14(19)10-8-13/h4-10H,11-12H2,1-3H3,(H,20,21,22).
What are the key properties of N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-2,2-dimethylpropanamide?
N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 316.38 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 68842438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).