N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide

C22H24Cl2N2O3 — CID 108551081

IUPACN-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)c(C)c1
InChIInChI=1S/C22H24Cl2N2O3/c1-14-3-6-20(15(2)11-14)29-13-21(27)25-17-7-9-26(10-8-17)22(28)18-12-16(23)4-5-19(18)24/h3-6,11-12,17H,7-10,13H2,1-2H3,(H,25,27)
InChIKeyIFUWJVXCSQVEMT-UHFFFAOYSA-N
MW435.35 g/mol
LogP4.41
Rot. Bonds5

About N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide

N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide (PubChem CID 108551081) has the molecular formula C22H24Cl2N2O3 and a molecular weight of 435.35 g/mol. Its IUPAC name is N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
PubChem CID108551081
Molecular FormulaC22H24Cl2N2O3
Molecular Weight435.35 g/mol
Exact Mass434.12
IUPAC NameN-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)c(C)c1
InChIInChI=1S/C22H24Cl2N2O3/c1-14-3-6-20(15(2)11-14)29-13-21(27)25-17-7-9-26(10-8-17)22(28)18-12-16(23)4-5-19(18)24/h3-6,11-12,17H,7-10,13H2,1-2H3,(H,25,27)
InChIKeyIFUWJVXCSQVEMT-UHFFFAOYSA-N
XLogP4.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.35
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108564260
N-[1-(2-chloropropanoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108560030
4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N,N-dimethylpiperidine-1-carboxamide
CID 108560027
2-(2,4-dimethylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 108551120
2-(2-tert-butyl-4-methylphenoxy)-N-[1-(2-chlorobenzoyl)piperidin-4-yl]acetamide
CID 108552692
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108560021
2-(2,4-dimethylphenoxy)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108551105
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-(2,4-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108559999
2-(2,4-dimethylphenoxy)-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 108551090
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide
CID 108553430

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide?
The IUPAC name of N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide (CID 108551081) is N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)NC2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)c(C)c1.
What is the InChIKey of N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide?
The InChIKey is IFUWJVXCSQVEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O3/c1-14-3-6-20(15(2)11-14)29-13-21(27)25-17-7-9-26(10-8-17)22(28)18-12-16(23)4-5-19(18)24/h3-6,11-12,17H,7-10,13H2,1-2H3,(H,25,27).
What are the key properties of N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide?
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide has a molecular weight of 435.35 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 108551081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).