N-[2-(2-ethyl-3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide

C18H21FN2O — CID 11822715

IUPACN-[2-(2-ethyl-3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide
SMILESCCc1nccc(-c2ccccc2NC(=O)C(C)(C)C)c1F
InChIInChI=1S/C18H21FN2O/c1-5-14-16(19)13(10-11-20-14)12-8-6-7-9-15(12)21-17(22)18(2,3)4/h6-11H,5H2,1-4H3,(H,21,22)
InChIKeyCJGNJGFZHXDZMG-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.43
Rot. Bonds3

About N-[2-(2-ethyl-3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide

N-[2-(2-ethyl-3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide (PubChem CID 11822715) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[2-(2-ethyl-3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(2-ethyl-3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide
PubChem CID11822715
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC NameN-[2-(2-ethyl-3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide
SMILESCCc1nccc(-c2ccccc2NC(=O)C(C)(C)C)c1F
InChIInChI=1S/C18H21FN2O/c1-5-14-16(19)13(10-11-20-14)12-8-6-7-9-15(12)21-17(22)18(2,3)4/h6-11H,5H2,1-4H3,(H,21,22)
InChIKeyCJGNJGFZHXDZMG-UHFFFAOYSA-N
XLogP4.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[3-fluoro-2-(1-hydroxyethyl)-4-pyridinyl]phenyl]-2,2-dimethylpropanamide
CID 11067056
N-(2-ethyl-3-formyl-4-pyridinyl)-2,2-dimethylpropanamide
CID 118192895
N-[2-[6-[2-(2,2-dimethylpropanoylamino)phenyl]-5-fluoro-3-pyridinyl]phenyl]-2,2-dimethylpropanamide
CID 11102364
2-(2,3-difluoro-4-pyridinyl)-N-methylaniline
CID 154001326
N-isoquinolin-1-yl-2,2-dimethylpropanamide
CID 598735
N-[2-[2-(1-cyanopentan-3-yl)-3-pyridinyl]phenyl]-2,2-dimethylpropanamide
CID 10712781
N,N'-bis(2-ethylphenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide
CID 5203478
N-(4-fluoro-2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide;N-(2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide
CID 159020962
2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide
CID 30333251
N-[2-(5,10-dioxopyrido[3,4-g]quinolin-4-yl)phenyl]-2,2,2-trifluoroacetamide
CID 10475902
2,2-dimethyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
CID 122282784
N-[2-[2-(2,2-dimethylpropanoylamino)-N-(2-methylsulfanylethyl)-6-(pyridin-2-ylmethyl)anilino]-3-(pyridin-2-ylmethyl)phenyl]-2,2-dimethylpropanamide
CID 101498557

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethyl-3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(2-ethyl-3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide (CID 11822715) is N-[2-(2-ethyl-3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(2-ethyl-3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(2-ethyl-3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide is CCc1nccc(-c2ccccc2NC(=O)C(C)(C)C)c1F.
What is the InChIKey of N-[2-(2-ethyl-3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is CJGNJGFZHXDZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-5-14-16(19)13(10-11-20-14)12-8-6-7-9-15(12)21-17(22)18(2,3)4/h6-11H,5H2,1-4H3,(H,21,22).
What are the key properties of N-[2-(2-ethyl-3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide?
N-[2-(2-ethyl-3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 300.38 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethyl-3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 11822715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).