2-(2,5-dichlorophenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide

C14H13Cl2NO3 — CID 84601511

IUPAC2-(2,5-dichlorophenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2NO3/c1-17(8-11-3-2-6-19-11)14(18)9-20-13-7-10(15)4-5-12(13)16/h2-7H,8-9H2,1H3
InChIKeyPADCVEGGHLHSDS-UHFFFAOYSA-N
MW314.17 g/mol
LogP3.62
Rot. Bonds5

About 2-(2,5-dichlorophenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide

2-(2,5-dichlorophenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide (PubChem CID 84601511) has the molecular formula C14H13Cl2NO3 and a molecular weight of 314.17 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide
PubChem CID84601511
Molecular FormulaC14H13Cl2NO3
Molecular Weight314.17 g/mol
Exact Mass313.03
IUPAC Name2-(2,5-dichlorophenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2NO3/c1-17(8-11-3-2-6-19-11)14(18)9-20-13-7-10(15)4-5-12(13)16/h2-7H,8-9H2,1H3
InChIKeyPADCVEGGHLHSDS-UHFFFAOYSA-N
XLogP3.62
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichlorophenoxy)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 99182792
2-(2,5-dichlorophenoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 112774399
N-(4-chlorophenyl)-2-(2,4-dichlorophenoxy)-N-(furan-2-ylmethyl)acetamide
CID 35182106
N-(furan-2-ylmethyl)-2-(3-methoxyphenoxy)-N-methylacetamide
CID 112779308
2-(2-carbamothioylphenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 43527060
2-(3-aminophenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 54916005
N-(furan-2-ylmethyl)-N-methyl-2-(4-propoxyphenoxy)acetamide
CID 112775334
2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 78768448
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3,6-dichloro-1-benzothiophene-2-carboxylate
CID 8761731
3-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 5015245
2-(5,6-dimethylpyridazin-3-yl)oxy-N-(furan-2-ylmethyl)-N-methylacetamide
CID 56782757
ethyl 4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethoxy]benzoate
CID 78765345

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide (CID 84601511) is 2-(2,5-dichlorophenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide is CN(Cc1ccco1)C(=O)COc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide?
The InChIKey is PADCVEGGHLHSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO3/c1-17(8-11-3-2-6-19-11)14(18)9-20-13-7-10(15)4-5-12(13)16/h2-7H,8-9H2,1H3.
What are the key properties of 2-(2,5-dichlorophenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide?
2-(2,5-dichlorophenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide has a molecular weight of 314.17 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 84601511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).