N-[2-(2,6-dichlorophenoxy)ethyl]-2-pyridin-3-ylacetamide

C15H14Cl2N2O2 — CID 19871620

IUPACN-[2-(2,6-dichlorophenoxy)ethyl]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)NCCOc1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2N2O2/c16-12-4-1-5-13(17)15(12)21-8-7-19-14(20)9-11-3-2-6-18-10-11/h1-6,10H,7-9H2,(H,19,20)
InChIKeyFECGRRAIDIQLHP-UHFFFAOYSA-N
MW325.19 g/mol
LogP3.13
Rot. Bonds6

About N-[2-(2,6-dichlorophenoxy)ethyl]-2-pyridin-3-ylacetamide

N-[2-(2,6-dichlorophenoxy)ethyl]-2-pyridin-3-ylacetamide (PubChem CID 19871620) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.19 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenoxy)ethyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenoxy)ethyl]-2-pyridin-3-ylacetamide
PubChem CID19871620
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.19 g/mol
Exact Mass324.04
IUPAC NameN-[2-(2,6-dichlorophenoxy)ethyl]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)NCCOc1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2N2O2/c16-12-4-1-5-13(17)15(12)21-8-7-19-14(20)9-11-3-2-6-18-10-11/h1-6,10H,7-9H2,(H,19,20)
InChIKeyFECGRRAIDIQLHP-UHFFFAOYSA-N
XLogP3.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 53.13
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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Related Compounds

N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 110697049
2-[2-[(2-pyridin-3-ylacetyl)amino]ethoxy]acetic acid
CID 79457634
5-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide
CID 2995794
N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 74240297
2-(2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999597
N-(2-piperidin-4-yloxyethyl)-2-pyridin-3-ylacetamide
CID 63871778
3-(2,6-dichlorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 100600054
N-[(2R)-2-(2-chlorophenyl)-2-hydroxypropyl]-2-pyridin-3-ylacetamide
CID 99701809
N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 44998655
N-(3-aminobutyl)-2-pyridin-3-ylacetamide
CID 63253983
N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-3-ylacetamide
CID 63869983
N-[(4-chloro-2-ethoxyphenyl)methyl]-2-pyridin-3-ylacetamide
CID 75387696

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenoxy)ethyl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[2-(2,6-dichlorophenoxy)ethyl]-2-pyridin-3-ylacetamide (CID 19871620) is N-[2-(2,6-dichlorophenoxy)ethyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[2-(2,6-dichlorophenoxy)ethyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[2-(2,6-dichlorophenoxy)ethyl]-2-pyridin-3-ylacetamide is O=C(Cc1cccnc1)NCCOc1c(Cl)cccc1Cl.
What is the InChIKey of N-[2-(2,6-dichlorophenoxy)ethyl]-2-pyridin-3-ylacetamide?
The InChIKey is FECGRRAIDIQLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c16-12-4-1-5-13(17)15(12)21-8-7-19-14(20)9-11-3-2-6-18-10-11/h1-6,10H,7-9H2,(H,19,20).
What are the key properties of N-[2-(2,6-dichlorophenoxy)ethyl]-2-pyridin-3-ylacetamide?
N-[2-(2,6-dichlorophenoxy)ethyl]-2-pyridin-3-ylacetamide has a molecular weight of 325.19 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenoxy)ethyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 19871620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).