N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylpropanamide

C16H17FN2O2 — CID 111566159

IUPACN-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)NCC(O)c1ccccc1F
InChIInChI=1S/C16H17FN2O2/c17-14-6-2-1-5-13(14)15(20)11-19-16(21)8-7-12-4-3-9-18-10-12/h1-6,9-10,15,20H,7-8,11H2,(H,19,21)
InChIKeyFDSXLRQDGIYVFE-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.00
Rot. Bonds6

About N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylpropanamide

N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylpropanamide (PubChem CID 111566159) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylpropanamide
PubChem CID111566159
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)NCC(O)c1ccccc1F
InChIInChI=1S/C16H17FN2O2/c17-14-6-2-1-5-13(14)15(20)11-19-16(21)8-7-12-4-3-9-18-10-12/h1-6,9-10,15,20H,7-8,11H2,(H,19,21)
InChIKeyFDSXLRQDGIYVFE-UHFFFAOYSA-N
XLogP2.00
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-difluoro-2-hydroxypropyl)-3-pyridin-3-ylpropanamide
CID 103769874
1-(2-fluorophenyl)-3-pyridin-3-ylpropan-1-ol
CID 105083957
N-(2-ethylbutyl)-3-pyridin-3-ylpropanamide
CID 115612776
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-pyridin-3-ylpropanamide
CID 111102845
N-[2-(2-fluorophenyl)-2-hydroxyethyl]pent-4-enamide
CID 111566124
(2S)-2-hydroxy-4-(3-pyridin-3-ylpropanoylamino)butanoic acid
CID 107834523
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide
CID 71982886
N-prop-2-enyl-3-pyridin-3-ylpropanamide
CID 60667734
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)propanamide
CID 111451187
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 111119811
1-(2-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60895907
N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-pyridin-3-ylpropanamide
CID 110904510

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylpropanamide (CID 111566159) is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylpropanamide is O=C(CCc1cccnc1)NCC(O)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylpropanamide?
The InChIKey is FDSXLRQDGIYVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-14-6-2-1-5-13(14)15(20)11-19-16(21)8-7-12-4-3-9-18-10-12/h1-6,9-10,15,20H,7-8,11H2,(H,19,21).
What are the key properties of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylpropanamide?
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylpropanamide has a molecular weight of 288.32 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 111566159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).