1-[2-[ethyl(pyridin-4-ylmethyl)amino]-6-fluorophenyl]ethanone

C16H17FN2O — CID 60678602

IUPAC1-[2-[ethyl(pyridin-4-ylmethyl)amino]-6-fluorophenyl]ethanone
SMILESCCN(Cc1ccncc1)c1cccc(F)c1C(C)=O
InChIInChI=1S/C16H17FN2O/c1-3-19(11-13-7-9-18-10-8-13)15-6-4-5-14(17)16(15)12(2)20/h4-10H,3,11H2,1-2H3
InChIKeyCCRUOYYQEKUCNH-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.45
Rot. Bonds5

About 1-[2-[ethyl(pyridin-4-ylmethyl)amino]-6-fluorophenyl]ethanone

1-[2-[ethyl(pyridin-4-ylmethyl)amino]-6-fluorophenyl]ethanone (PubChem CID 60678602) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-[2-[ethyl(pyridin-4-ylmethyl)amino]-6-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-[ethyl(pyridin-4-ylmethyl)amino]-6-fluorophenyl]ethanone
PubChem CID60678602
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name1-[2-[ethyl(pyridin-4-ylmethyl)amino]-6-fluorophenyl]ethanone
SMILESCCN(Cc1ccncc1)c1cccc(F)c1C(C)=O
InChIInChI=1S/C16H17FN2O/c1-3-19(11-13-7-9-18-10-8-13)15-6-4-5-14(17)16(15)12(2)20/h4-10H,3,11H2,1-2H3
InChIKeyCCRUOYYQEKUCNH-UHFFFAOYSA-N
XLogP3.45
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(pyridin-4-ylmethyl)amino]-6-fluorophenyl]ethanone?
The IUPAC name of 1-[2-[ethyl(pyridin-4-ylmethyl)amino]-6-fluorophenyl]ethanone (CID 60678602) is 1-[2-[ethyl(pyridin-4-ylmethyl)amino]-6-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-[ethyl(pyridin-4-ylmethyl)amino]-6-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-[ethyl(pyridin-4-ylmethyl)amino]-6-fluorophenyl]ethanone is CCN(Cc1ccncc1)c1cccc(F)c1C(C)=O.
What is the InChIKey of 1-[2-[ethyl(pyridin-4-ylmethyl)amino]-6-fluorophenyl]ethanone?
The InChIKey is CCRUOYYQEKUCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-3-19(11-13-7-9-18-10-8-13)15-6-4-5-14(17)16(15)12(2)20/h4-10H,3,11H2,1-2H3.
What are the key properties of 1-[2-[ethyl(pyridin-4-ylmethyl)amino]-6-fluorophenyl]ethanone?
1-[2-[ethyl(pyridin-4-ylmethyl)amino]-6-fluorophenyl]ethanone has a molecular weight of 272.32 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(pyridin-4-ylmethyl)amino]-6-fluorophenyl]ethanone is sourced from PubChem (CID 60678602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).