2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]acetamide

C22H24ClFN2O3 — CID 108552732

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]acetamide
SMILESCc1cc(OCC(=O)NC2CCN(C(=O)c3ccc(F)cc3)CC2)cc(C)c1Cl
InChIInChI=1S/C22H24ClFN2O3/c1-14-11-19(12-15(2)21(14)23)29-13-20(27)25-18-7-9-26(10-8-18)22(28)16-3-5-17(24)6-4-16/h3-6,11-12,18H,7-10,13H2,1-2H3,(H,25,27)
InChIKeyKDCISFTWFAFCID-UHFFFAOYSA-N
MW418.90 g/mol
LogP3.90
Rot. Bonds5

About 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]acetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]acetamide (PubChem CID 108552732) has the molecular formula C22H24ClFN2O3 and a molecular weight of 418.90 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]acetamide
PubChem CID108552732
Molecular FormulaC22H24ClFN2O3
Molecular Weight418.90 g/mol
Exact Mass418.15
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]acetamide
SMILESCc1cc(OCC(=O)NC2CCN(C(=O)c3ccc(F)cc3)CC2)cc(C)c1Cl
InChIInChI=1S/C22H24ClFN2O3/c1-14-11-19(12-15(2)21(14)23)29-13-20(27)25-18-7-9-26(10-8-18)22(28)16-3-5-17(24)6-4-16/h3-6,11-12,18H,7-10,13H2,1-2H3,(H,25,27)
InChIKeyKDCISFTWFAFCID-UHFFFAOYSA-N
XLogP3.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 108552749
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]acetamide
CID 108552743
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108552761
2-(3,4-dimethylphenoxy)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 108560903
N-(1-acetylpiperidin-4-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 55553899
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(3-methoxypropanoyl)piperidin-4-yl]acetamide
CID 108552764
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 75369326
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108552751
2-(4-acetylphenoxy)-N-[1-(4-methylbenzoyl)piperidin-4-yl]acetamide
CID 71933874
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108556946
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108552968
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 108552807

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]acetamide (CID 108552732) is 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]acetamide is Cc1cc(OCC(=O)NC2CCN(C(=O)c3ccc(F)cc3)CC2)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]acetamide?
The InChIKey is KDCISFTWFAFCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN2O3/c1-14-11-19(12-15(2)21(14)23)29-13-20(27)25-18-7-9-26(10-8-18)22(28)16-3-5-17(24)6-4-16/h3-6,11-12,18H,7-10,13H2,1-2H3,(H,25,27).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]acetamide has a molecular weight of 418.90 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108552732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).