N-[[1-[(2-chloro-5-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]methyl]-2-methoxyacetamide

C16H20ClFN2O2 — CID 50956831

IUPACN-[[1-[(2-chloro-5-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCC1=CCN(Cc2cc(F)ccc2Cl)CC1
InChIInChI=1S/C16H20ClFN2O2/c1-22-11-16(21)19-9-12-4-6-20(7-5-12)10-13-8-14(18)2-3-15(13)17/h2-4,8H,5-7,9-11H2,1H3,(H,19,21)
InChIKeyRLOGLODVKKJYPU-UHFFFAOYSA-N
MW326.80 g/mol
LogP2.37
Rot. Bonds6

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

N-[[1-[(2-chloro-5-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]methyl]-2-methoxyacetamide (PubChem CID 50956831) has the molecular formula C16H20ClFN2O2 and a molecular weight of 326.80 g/mol. Its IUPAC name is N-[[1-[(2-chloro-5-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[1-[(2-chloro-5-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]methyl]-2-methoxyacetamide
PubChem CID50956831
Molecular FormulaC16H20ClFN2O2
Molecular Weight326.80 g/mol
Exact Mass326.12
IUPAC NameN-[[1-[(2-chloro-5-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCC1=CCN(Cc2cc(F)ccc2Cl)CC1
InChIInChI=1S/C16H20ClFN2O2/c1-22-11-16(21)19-9-12-4-6-20(7-5-12)10-13-8-14(18)2-3-15(13)17/h2-4,8H,5-7,9-11H2,1H3,(H,19,21)
InChIKeyRLOGLODVKKJYPU-UHFFFAOYSA-N
XLogP2.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 52.37
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-[[1-[(2-chloro-5-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[1-[(2-chloro-5-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]methyl]-2-methoxyacetamide (CID 50956831) is N-[[1-[(2-chloro-5-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[1-[(2-chloro-5-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[1-[(2-chloro-5-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]methyl]-2-methoxyacetamide is COCC(=O)NCC1=CCN(Cc2cc(F)ccc2Cl)CC1.
What is the InChIKey of N-[[1-[(2-chloro-5-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]methyl]-2-methoxyacetamide?
The InChIKey is RLOGLODVKKJYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN2O2/c1-22-11-16(21)19-9-12-4-6-20(7-5-12)10-13-8-14(18)2-3-15(13)17/h2-4,8H,5-7,9-11H2,1H3,(H,19,21).
What are the key properties of N-[[1-[(2-chloro-5-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]methyl]-2-methoxyacetamide?
N-[[1-[(2-chloro-5-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]methyl]-2-methoxyacetamide has a molecular weight of 326.80 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chloro-5-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 50956831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).