N-(3-bromo-5-fluoro-2-pyridinyl)-2-(2-ethyloxan-4-yl)acetamide

C14H18BrFN2O2 — CID 126841547

IUPACN-(3-bromo-5-fluoro-2-pyridinyl)-2-(2-ethyloxan-4-yl)acetamide
SMILESCCC1CC(CC(=O)Nc2ncc(F)cc2Br)CCO1
InChIInChI=1S/C14H18BrFN2O2/c1-2-11-5-9(3-4-20-11)6-13(19)18-14-12(15)7-10(16)8-17-14/h7-9,11H,2-6H2,1H3,(H,17,18,19)
InChIKeyFYMJPWFWALJAIT-UHFFFAOYSA-N
MW345.21 g/mol
LogP3.52
Rot. Bonds4

About N-(3-bromo-5-fluoro-2-pyridinyl)-2-(2-ethyloxan-4-yl)acetamide

N-(3-bromo-5-fluoro-2-pyridinyl)-2-(2-ethyloxan-4-yl)acetamide (PubChem CID 126841547) has the molecular formula C14H18BrFN2O2 and a molecular weight of 345.21 g/mol. Its IUPAC name is N-(3-bromo-5-fluoro-2-pyridinyl)-2-(2-ethyloxan-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-bromo-5-fluoro-2-pyridinyl)-2-(2-ethyloxan-4-yl)acetamide
PubChem CID126841547
Molecular FormulaC14H18BrFN2O2
Molecular Weight345.21 g/mol
Exact Mass344.05
IUPAC NameN-(3-bromo-5-fluoro-2-pyridinyl)-2-(2-ethyloxan-4-yl)acetamide
SMILESCCC1CC(CC(=O)Nc2ncc(F)cc2Br)CCO1
InChIInChI=1S/C14H18BrFN2O2/c1-2-11-5-9(3-4-20-11)6-13(19)18-14-12(15)7-10(16)8-17-14/h7-9,11H,2-6H2,1H3,(H,17,18,19)
InChIKeyFYMJPWFWALJAIT-UHFFFAOYSA-N
XLogP3.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-fluoro-2-pyridinyl)-2-(2-ethyloxan-4-yl)acetamide?
The IUPAC name of N-(3-bromo-5-fluoro-2-pyridinyl)-2-(2-ethyloxan-4-yl)acetamide (CID 126841547) is N-(3-bromo-5-fluoro-2-pyridinyl)-2-(2-ethyloxan-4-yl)acetamide.
What is the SMILES notation for N-(3-bromo-5-fluoro-2-pyridinyl)-2-(2-ethyloxan-4-yl)acetamide?
The canonical SMILES for N-(3-bromo-5-fluoro-2-pyridinyl)-2-(2-ethyloxan-4-yl)acetamide is CCC1CC(CC(=O)Nc2ncc(F)cc2Br)CCO1.
What is the InChIKey of N-(3-bromo-5-fluoro-2-pyridinyl)-2-(2-ethyloxan-4-yl)acetamide?
The InChIKey is FYMJPWFWALJAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O2/c1-2-11-5-9(3-4-20-11)6-13(19)18-14-12(15)7-10(16)8-17-14/h7-9,11H,2-6H2,1H3,(H,17,18,19).
What are the key properties of N-(3-bromo-5-fluoro-2-pyridinyl)-2-(2-ethyloxan-4-yl)acetamide?
N-(3-bromo-5-fluoro-2-pyridinyl)-2-(2-ethyloxan-4-yl)acetamide has a molecular weight of 345.21 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-fluoro-2-pyridinyl)-2-(2-ethyloxan-4-yl)acetamide is sourced from PubChem (CID 126841547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).