N-[2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]ethyl]acetamide

C16H17ClN2O2 — CID 612729

IUPACN-[2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]ethyl]acetamide
SMILESCC(=O)NCCOC(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C16H17ClN2O2/c1-12(20)18-10-11-21-16(15-4-2-3-9-19-15)13-5-7-14(17)8-6-13/h2-9,16H,10-11H2,1H3,(H,18,20)
InChIKeyVMKVPELNFVANLD-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.98
Rot. Bonds6

About N-[2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]ethyl]acetamide

N-[2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]ethyl]acetamide (PubChem CID 612729) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]ethyl]acetamide
PubChem CID612729
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-[2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]ethyl]acetamide
SMILESCC(=O)NCCOC(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C16H17ClN2O2/c1-12(20)18-10-11-21-16(15-4-2-3-9-19-15)13-5-7-14(17)8-6-13/h2-9,16H,10-11H2,1H3,(H,18,20)
InChIKeyVMKVPELNFVANLD-UHFFFAOYSA-N
XLogP2.98
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]ethyl]acetamide?
The IUPAC name of N-[2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]ethyl]acetamide (CID 612729) is N-[2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]ethyl]acetamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]ethyl]acetamide is CC(=O)NCCOC(c1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of N-[2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]ethyl]acetamide?
The InChIKey is VMKVPELNFVANLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-12(20)18-10-11-21-16(15-4-2-3-9-19-15)13-5-7-14(17)8-6-13/h2-9,16H,10-11H2,1H3,(H,18,20).
What are the key properties of N-[2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]ethyl]acetamide?
N-[2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]ethyl]acetamide has a molecular weight of 304.78 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]ethyl]acetamide is sourced from PubChem (CID 612729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).