N-[2-(4-fluorophenyl)ethyl]-N-[[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide

C18H25FN2O2 — CID 50956619

IUPACN-[2-(4-fluorophenyl)ethyl]-N-[[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide
SMILESCC(=O)N(CCc1ccc(F)cc1)CC1=CCCN(CCO)C1
InChIInChI=1S/C18H25FN2O2/c1-15(23)21(10-8-16-4-6-18(19)7-5-16)14-17-3-2-9-20(13-17)11-12-22/h3-7,22H,2,8-14H2,1H3
InChIKeyVTCGRACKVSQJRI-UHFFFAOYSA-N
MW320.41 g/mol
LogP1.84
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-N-[[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide

N-[2-(4-fluorophenyl)ethyl]-N-[[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide (PubChem CID 50956619) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-N-[[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-N-[[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide
PubChem CID50956619
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-N-[[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide
SMILESCC(=O)N(CCc1ccc(F)cc1)CC1=CCCN(CCO)C1
InChIInChI=1S/C18H25FN2O2/c1-15(23)21(10-8-16-4-6-18(19)7-5-16)14-17-3-2-9-20(13-17)11-12-22/h3-7,22H,2,8-14H2,1H3
InChIKeyVTCGRACKVSQJRI-UHFFFAOYSA-N
XLogP1.84
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N-[[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N-[[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide (CID 50956619) is N-[2-(4-fluorophenyl)ethyl]-N-[[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-N-[[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-N-[[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide is CC(=O)N(CCc1ccc(F)cc1)CC1=CCCN(CCO)C1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-N-[[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide?
The InChIKey is VTCGRACKVSQJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-15(23)21(10-8-16-4-6-18(19)7-5-16)14-17-3-2-9-20(13-17)11-12-22/h3-7,22H,2,8-14H2,1H3.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-N-[[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide?
N-[2-(4-fluorophenyl)ethyl]-N-[[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide has a molecular weight of 320.41 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-N-[[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide is sourced from PubChem (CID 50956619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).