2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide

C22H25ClN2O3 — CID 4939291

IUPAC2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
SMILESCc1cc(OCC(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)ccc1Cl
InChIInChI=1S/C22H25ClN2O3/c1-15-9-11-25(12-10-15)22(27)18-5-3-4-6-20(18)24-21(26)14-28-17-7-8-19(23)16(2)13-17/h3-8,13,15H,9-12,14H2,1-2H3,(H,24,26)
InChIKeySVLPROFMFYWEJW-UHFFFAOYSA-N
MW400.91 g/mol
LogP4.54
Rot. Bonds5

About 2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide

2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide (PubChem CID 4939291) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
PubChem CID4939291
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
SMILESCc1cc(OCC(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)ccc1Cl
InChIInChI=1S/C22H25ClN2O3/c1-15-9-11-25(12-10-15)22(27)18-5-3-4-6-20(18)24-21(26)14-28-17-7-8-19(23)16(2)13-17/h3-8,13,15H,9-12,14H2,1-2H3,(H,24,26)
InChIKeySVLPROFMFYWEJW-UHFFFAOYSA-N
XLogP4.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4939290
2-(4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4939349
2-(4-chloro-2-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4939353
2-(2-bromo-4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4939411
2-(4-chloro-3-methylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 883850
2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 4945322
2-(4-chlorophenoxy)-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]acetamide
CID 7126525
2-(2-bromo-4-phenylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4960724
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 17117895
2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 4932419
2-(3-methyl-4-propan-2-ylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 35326706
2-(4-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 4935995

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide (CID 4939291) is 2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide is Cc1cc(OCC(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The InChIKey is SVLPROFMFYWEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O3/c1-15-9-11-25(12-10-15)22(27)18-5-3-4-6-20(18)24-21(26)14-28-17-7-8-19(23)16(2)13-17/h3-8,13,15H,9-12,14H2,1-2H3,(H,24,26).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide has a molecular weight of 400.91 g/mol, XLogP of 4.54, 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-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 4939291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).