N-(5-bromo-3-fluoro-2-pyridinyl)-N-ethyl-2,2-dimethylpropanamide

C12H16BrFN2O — CID 123145198

IUPACN-(5-bromo-3-fluoro-2-pyridinyl)-N-ethyl-2,2-dimethylpropanamide
SMILESCCN(C(=O)C(C)(C)C)c1ncc(Br)cc1F
InChIInChI=1S/C12H16BrFN2O/c1-5-16(11(17)12(2,3)4)10-9(14)6-8(13)7-15-10/h6-7H,5H2,1-4H3
InChIKeyQJDONWRUNSERKM-UHFFFAOYSA-N
MW303.18 g/mol
LogP3.38
Rot. Bonds2

About N-(5-bromo-3-fluoro-2-pyridinyl)-N-ethyl-2,2-dimethylpropanamide

N-(5-bromo-3-fluoro-2-pyridinyl)-N-ethyl-2,2-dimethylpropanamide (PubChem CID 123145198) has the molecular formula C12H16BrFN2O and a molecular weight of 303.18 g/mol. Its IUPAC name is N-(5-bromo-3-fluoro-2-pyridinyl)-N-ethyl-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-3-fluoro-2-pyridinyl)-N-ethyl-2,2-dimethylpropanamide
PubChem CID123145198
Molecular FormulaC12H16BrFN2O
Molecular Weight303.18 g/mol
Exact Mass302.04
IUPAC NameN-(5-bromo-3-fluoro-2-pyridinyl)-N-ethyl-2,2-dimethylpropanamide
SMILESCCN(C(=O)C(C)(C)C)c1ncc(Br)cc1F
InChIInChI=1S/C12H16BrFN2O/c1-5-16(11(17)12(2,3)4)10-9(14)6-8(13)7-15-10/h6-7H,5H2,1-4H3
InChIKeyQJDONWRUNSERKM-UHFFFAOYSA-N
XLogP3.38
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-fluoro-2-pyridinyl)-N-ethyl-2,2-dimethylpropanamide?
The IUPAC name of N-(5-bromo-3-fluoro-2-pyridinyl)-N-ethyl-2,2-dimethylpropanamide (CID 123145198) is N-(5-bromo-3-fluoro-2-pyridinyl)-N-ethyl-2,2-dimethylpropanamide.
What is the SMILES notation for N-(5-bromo-3-fluoro-2-pyridinyl)-N-ethyl-2,2-dimethylpropanamide?
The canonical SMILES for N-(5-bromo-3-fluoro-2-pyridinyl)-N-ethyl-2,2-dimethylpropanamide is CCN(C(=O)C(C)(C)C)c1ncc(Br)cc1F.
What is the InChIKey of N-(5-bromo-3-fluoro-2-pyridinyl)-N-ethyl-2,2-dimethylpropanamide?
The InChIKey is QJDONWRUNSERKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O/c1-5-16(11(17)12(2,3)4)10-9(14)6-8(13)7-15-10/h6-7H,5H2,1-4H3.
What are the key properties of N-(5-bromo-3-fluoro-2-pyridinyl)-N-ethyl-2,2-dimethylpropanamide?
N-(5-bromo-3-fluoro-2-pyridinyl)-N-ethyl-2,2-dimethylpropanamide has a molecular weight of 303.18 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-fluoro-2-pyridinyl)-N-ethyl-2,2-dimethylpropanamide is sourced from PubChem (CID 123145198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).