2-(3,5-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide

C15H15Cl2NO4 — CID 111482795

IUPAC2-(3,5-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide
SMILESCC(O)(CNC(=O)COc1cc(Cl)cc(Cl)c1)c1ccco1
InChIInChI=1S/C15H15Cl2NO4/c1-15(20,13-3-2-4-21-13)9-18-14(19)8-22-12-6-10(16)5-11(17)7-12/h2-7,20H,8-9H2,1H3,(H,18,19)
InChIKeyVSIKKAYUNMRIBX-UHFFFAOYSA-N
MW344.19 g/mol
LogP2.99
Rot. Bonds6

About 2-(3,5-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide

2-(3,5-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide (PubChem CID 111482795) has the molecular formula C15H15Cl2NO4 and a molecular weight of 344.19 g/mol. Its IUPAC name is 2-(3,5-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide
PubChem CID111482795
Molecular FormulaC15H15Cl2NO4
Molecular Weight344.19 g/mol
Exact Mass343.04
IUPAC Name2-(3,5-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide
SMILESCC(O)(CNC(=O)COc1cc(Cl)cc(Cl)c1)c1ccco1
InChIInChI=1S/C15H15Cl2NO4/c1-15(20,13-3-2-4-21-13)9-18-14(19)8-22-12-6-10(16)5-11(17)7-12/h2-7,20H,8-9H2,1H3,(H,18,19)
InChIKeyVSIKKAYUNMRIBX-UHFFFAOYSA-N
XLogP2.99
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.19
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-fluorophenoxy)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide
CID 111482635
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(4-methylphenoxy)acetamide
CID 121085820
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide
CID 111482731
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
3-(furan-2-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide
CID 111481891
2,6-dichloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71975267
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71782549
2-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpropanamide
CID 111520232
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
CID 111482264
N-(2-amino-2-ethylbutyl)-2-(3,5-dichlorophenoxy)acetamide;hydrochloride
CID 119641262
2-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide
CID 71782547
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide?
The IUPAC name of 2-(3,5-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide (CID 111482795) is 2-(3,5-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide.
What is the SMILES notation for 2-(3,5-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide?
The canonical SMILES for 2-(3,5-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide is CC(O)(CNC(=O)COc1cc(Cl)cc(Cl)c1)c1ccco1.
What is the InChIKey of 2-(3,5-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide?
The InChIKey is VSIKKAYUNMRIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO4/c1-15(20,13-3-2-4-21-13)9-18-14(19)8-22-12-6-10(16)5-11(17)7-12/h2-7,20H,8-9H2,1H3,(H,18,19).
What are the key properties of 2-(3,5-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide?
2-(3,5-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide has a molecular weight of 344.19 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide is sourced from PubChem (CID 111482795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).