2-(2,5-dichlorophenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide

C18H18Cl2N2O4 — CID 24660712

IUPAC2-(2,5-dichlorophenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)NC1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C18H18Cl2N2O4/c19-13-1-2-15(20)16(9-13)26-11-17(23)21-14-3-6-22(7-4-14)18(24)12-5-8-25-10-12/h1-2,5,8-10,14H,3-4,6-7,11H2,(H,21,23)
InChIKeyZZZNAAHSUCLNRY-UHFFFAOYSA-N
MW397.26 g/mol
LogP3.39
Rot. Bonds5

About 2-(2,5-dichlorophenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide

2-(2,5-dichlorophenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide (PubChem CID 24660712) has the molecular formula C18H18Cl2N2O4 and a molecular weight of 397.26 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
PubChem CID24660712
Molecular FormulaC18H18Cl2N2O4
Molecular Weight397.26 g/mol
Exact Mass396.06
IUPAC Name2-(2,5-dichlorophenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)NC1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C18H18Cl2N2O4/c19-13-1-2-15(20)16(9-13)26-11-17(23)21-14-3-6-22(7-4-14)18(24)12-5-8-25-10-12/h1-2,5,8-10,14H,3-4,6-7,11H2,(H,21,23)
InChIKeyZZZNAAHSUCLNRY-UHFFFAOYSA-N
XLogP3.39
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(2,5-dichlorophenoxy)acetamide
CID 841562
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 38208532
2-(2,6-dichlorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
CID 38198477
2-(4-chlorophenoxy)-N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]acetamide
CID 108554297
N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-2-(2,5-dichlorophenoxy)acetamide
CID 52504513
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108551081
2-(2-chlorophenyl)sulfanyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
CID 38210187
2-(2,5-dichlorophenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide
CID 60550321
2-(2,4-dichlorophenoxy)-N-(1-propanoylpiperidin-4-yl)acetamide
CID 108553385
2-(4-chlorophenoxy)-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide
CID 108561475
2-methylpropyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108561064
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 108552807

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide (CID 24660712) is 2-(2,5-dichlorophenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide is O=C(COc1cc(Cl)ccc1Cl)NC1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is ZZZNAAHSUCLNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4/c19-13-1-2-15(20)16(9-13)26-11-17(23)21-14-3-6-22(7-4-14)18(24)12-5-8-25-10-12/h1-2,5,8-10,14H,3-4,6-7,11H2,(H,21,23).
What are the key properties of 2-(2,5-dichlorophenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide?
2-(2,5-dichlorophenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 397.26 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 24660712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).