2-(3-chlorophenoxy)-N-(furan-2-ylmethyl)-N-pyridin-2-ylacetamide

C18H15ClN2O3 — CID 23613582

IUPAC2-(3-chlorophenoxy)-N-(furan-2-ylmethyl)-N-pyridin-2-ylacetamide
SMILESO=C(COc1cccc(Cl)c1)N(Cc1ccco1)c1ccccn1
InChIInChI=1S/C18H15ClN2O3/c19-14-5-3-6-15(11-14)24-13-18(22)21(12-16-7-4-10-23-16)17-8-1-2-9-20-17/h1-11H,12-13H2
InChIKeySMJHHTKWJQWLGT-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.94
Rot. Bonds6

About 2-(3-chlorophenoxy)-N-(furan-2-ylmethyl)-N-pyridin-2-ylacetamide

2-(3-chlorophenoxy)-N-(furan-2-ylmethyl)-N-pyridin-2-ylacetamide (PubChem CID 23613582) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(furan-2-ylmethyl)-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(furan-2-ylmethyl)-N-pyridin-2-ylacetamide
PubChem CID23613582
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name2-(3-chlorophenoxy)-N-(furan-2-ylmethyl)-N-pyridin-2-ylacetamide
SMILESO=C(COc1cccc(Cl)c1)N(Cc1ccco1)c1ccccn1
InChIInChI=1S/C18H15ClN2O3/c19-14-5-3-6-15(11-14)24-13-18(22)21(12-16-7-4-10-23-16)17-8-1-2-9-20-17/h1-11H,12-13H2
InChIKeySMJHHTKWJQWLGT-UHFFFAOYSA-N
XLogP3.94
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 17012479
2-(3-chlorophenoxy)-N-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 19120272
2-(4-chlorophenoxy)-N-(4-chlorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 35181974
N-(2-aminophenyl)-2-(3-chlorophenoxy)-N-ethylacetamide
CID 62229641
N-(furan-2-ylmethyl)-2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 121084642
N-(4-chlorophenyl)-2-(2,4-dichlorophenoxy)-N-(furan-2-ylmethyl)acetamide
CID 35182106
2-chloro-N-(3-chlorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 39384213
N-(furan-2-ylmethyl)-2-(3-methoxyphenoxy)-N-methylacetamide
CID 112779308
2-(3-chlorophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2707681
N-[2-(2,4-dichlorophenyl)ethyl]-N-(furan-2-ylmethyl)-2-phenoxyacetamide
CID 42709076
2-(3-aminophenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 54916005
2-(4-chloro-3,5-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-pyridin-2-ylacetamide
CID 35578649

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(furan-2-ylmethyl)-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(furan-2-ylmethyl)-N-pyridin-2-ylacetamide (CID 23613582) is 2-(3-chlorophenoxy)-N-(furan-2-ylmethyl)-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(furan-2-ylmethyl)-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(furan-2-ylmethyl)-N-pyridin-2-ylacetamide is O=C(COc1cccc(Cl)c1)N(Cc1ccco1)c1ccccn1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(furan-2-ylmethyl)-N-pyridin-2-ylacetamide?
The InChIKey is SMJHHTKWJQWLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c19-14-5-3-6-15(11-14)24-13-18(22)21(12-16-7-4-10-23-16)17-8-1-2-9-20-17/h1-11H,12-13H2.
What are the key properties of 2-(3-chlorophenoxy)-N-(furan-2-ylmethyl)-N-pyridin-2-ylacetamide?
2-(3-chlorophenoxy)-N-(furan-2-ylmethyl)-N-pyridin-2-ylacetamide has a molecular weight of 342.78 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(furan-2-ylmethyl)-N-pyridin-2-ylacetamide is sourced from PubChem (CID 23613582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).