2-fluoro-N-(2-pyridin-4-ylethyl)propanamide

C10H13FN2O — CID 174360560

IUPAC2-fluoro-N-(2-pyridin-4-ylethyl)propanamide
SMILESCC(F)C(=O)NCCc1ccncc1
InChIInChI=1S/C10H13FN2O/c1-8(11)10(14)13-7-4-9-2-5-12-6-3-9/h2-3,5-6,8H,4,7H2,1H3,(H,13,14)
InChIKeyVECRJXHRJPUPDM-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.10
Rot. Bonds4

About 2-fluoro-N-(2-pyridin-4-ylethyl)propanamide

2-fluoro-N-(2-pyridin-4-ylethyl)propanamide (PubChem CID 174360560) has the molecular formula C10H13FN2O and a molecular weight of 196.23 g/mol. Its IUPAC name is 2-fluoro-N-(2-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound Name2-fluoro-N-(2-pyridin-4-ylethyl)propanamide
PubChem CID174360560
Molecular FormulaC10H13FN2O
Molecular Weight196.23 g/mol
Exact Mass196.10
IUPAC Name2-fluoro-N-(2-pyridin-4-ylethyl)propanamide
SMILESCC(F)C(=O)NCCc1ccncc1
InChIInChI=1S/C10H13FN2O/c1-8(11)10(14)13-7-4-9-2-5-12-6-3-9/h2-3,5-6,8H,4,7H2,1H3,(H,13,14)
InChIKeyVECRJXHRJPUPDM-UHFFFAOYSA-N
XLogP1.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-hydroxy-N-(2-pyridin-4-ylethyl)propanamide
CID 99965178
3-chloro-2-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 62727761
2-chloro-N-(2-pyridin-4-ylethylcarbamoyl)propanamide
CID 54944221
2-pyridin-4-ylethylcarbamothioic S-acid
CID 115170339
(2S)-2-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 78967885
(2R)-2-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 54991048
(2S)-2-amino-N-(2-pyridin-4-ylethyl)pentanamide
CID 107568774
3-methyl-4-(2-pyridin-4-ylethylcarbamoylamino)butanoic acid
CID 81069402
2-hydroxy-N-(2-pyridin-4-ylethyl)acetamide
CID 83816903
2-bromo-2-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 82110489
2-amino-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
CID 60904033
2-acetamido-N-(2-pyridin-4-ylethyl)-3-sulfanylpropanamide
CID 107769161

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-pyridin-4-ylethyl)propanamide?
The IUPAC name of 2-fluoro-N-(2-pyridin-4-ylethyl)propanamide (CID 174360560) is 2-fluoro-N-(2-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for 2-fluoro-N-(2-pyridin-4-ylethyl)propanamide?
The canonical SMILES for 2-fluoro-N-(2-pyridin-4-ylethyl)propanamide is CC(F)C(=O)NCCc1ccncc1.
What is the InChIKey of 2-fluoro-N-(2-pyridin-4-ylethyl)propanamide?
The InChIKey is VECRJXHRJPUPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-8(11)10(14)13-7-4-9-2-5-12-6-3-9/h2-3,5-6,8H,4,7H2,1H3,(H,13,14).
What are the key properties of 2-fluoro-N-(2-pyridin-4-ylethyl)propanamide?
2-fluoro-N-(2-pyridin-4-ylethyl)propanamide has a molecular weight of 196.23 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 174360560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).