N-[(2-ethoxy-3-pyridinyl)methyl]-3-(4-fluorophenyl)propanamide

C17H19FN2O2 — CID 37487522

IUPACN-[(2-ethoxy-3-pyridinyl)methyl]-3-(4-fluorophenyl)propanamide
SMILESCCOc1ncccc1CNC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2/c1-2-22-17-14(4-3-11-19-17)12-20-16(21)10-7-13-5-8-15(18)9-6-13/h3-6,8-9,11H,2,7,10,12H2,1H3,(H,20,21)
InChIKeyCHEFQYYSKPDNMM-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.87
Rot. Bonds7

About N-[(2-ethoxy-3-pyridinyl)methyl]-3-(4-fluorophenyl)propanamide

N-[(2-ethoxy-3-pyridinyl)methyl]-3-(4-fluorophenyl)propanamide (PubChem CID 37487522) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is N-[(2-ethoxy-3-pyridinyl)methyl]-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[(2-ethoxy-3-pyridinyl)methyl]-3-(4-fluorophenyl)propanamide
PubChem CID37487522
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC NameN-[(2-ethoxy-3-pyridinyl)methyl]-3-(4-fluorophenyl)propanamide
SMILESCCOc1ncccc1CNC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2/c1-2-22-17-14(4-3-11-19-17)12-20-16(21)10-7-13-5-8-15(18)9-6-13/h3-6,8-9,11H,2,7,10,12H2,1H3,(H,20,21)
InChIKeyCHEFQYYSKPDNMM-UHFFFAOYSA-N
XLogP2.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-tert-butylphenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide
CID 37487440
3-(3-fluorophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]propanamide
CID 60589527
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(furan-2-yl)propanamide
CID 37487260
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 38537408
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111229666
N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,4-difluorobenzamide
CID 38539516
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea
CID 53184961
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(2-fluorophenyl)sulfanylpropanamide
CID 37487153
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-3-pyridin-3-ylpropanamide
CID 42520255
3-(2-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 38534369
N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 37486928
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide
CID 37487509

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-3-(4-fluorophenyl)propanamide (CID 37487522) is N-[(2-ethoxy-3-pyridinyl)methyl]-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-[(2-ethoxy-3-pyridinyl)methyl]-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-[(2-ethoxy-3-pyridinyl)methyl]-3-(4-fluorophenyl)propanamide is CCOc1ncccc1CNC(=O)CCc1ccc(F)cc1.
What is the InChIKey of N-[(2-ethoxy-3-pyridinyl)methyl]-3-(4-fluorophenyl)propanamide?
The InChIKey is CHEFQYYSKPDNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-2-22-17-14(4-3-11-19-17)12-20-16(21)10-7-13-5-8-15(18)9-6-13/h3-6,8-9,11H,2,7,10,12H2,1H3,(H,20,21).
What are the key properties of N-[(2-ethoxy-3-pyridinyl)methyl]-3-(4-fluorophenyl)propanamide?
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(4-fluorophenyl)propanamide has a molecular weight of 302.35 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-pyridinyl)methyl]-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 37487522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).