2-(4-chloro-3,5-dimethylphenoxy)-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide

C21H24Cl2N2O2 — CID 1048171

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc(C)c1Cl
InChIInChI=1S/C21H24Cl2N2O2/c1-14-10-17(11-15(2)21(14)23)27-13-20(26)24-16-6-7-19(18(22)12-16)25-8-4-3-5-9-25/h6-7,10-12H,3-5,8-9,13H2,1-2H3,(H,24,26)
InChIKeyJBGCWECERGYNAD-UHFFFAOYSA-N
MW407.34 g/mol
LogP5.62
Rot. Bonds5

About 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide (PubChem CID 1048171) has the molecular formula C21H24Cl2N2O2 and a molecular weight of 407.34 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide
PubChem CID1048171
Molecular FormulaC21H24Cl2N2O2
Molecular Weight407.34 g/mol
Exact Mass406.12
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc(C)c1Cl
InChIInChI=1S/C21H24Cl2N2O2/c1-14-10-17(11-15(2)21(14)23)27-13-20(26)24-16-6-7-19(18(22)12-16)25-8-4-3-5-9-25/h6-7,10-12H,3-5,8-9,13H2,1-2H3,(H,24,26)
InChIKeyJBGCWECERGYNAD-UHFFFAOYSA-N
XLogP5.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.34
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 1245566
N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxyacetamide
CID 47296916
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
CID 4043146
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide
CID 21212389
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide
CID 1114490
N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 3944463
2-(4-butan-2-ylphenoxy)-N-(3-chloro-4-pyrrolidin-1-ylphenyl)acetamide
CID 19629925
2-(4-chloro-3,5-dimethylphenoxy)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 26168331
2-(4-chloro-3-methylphenoxy)-N-[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]acetamide
CID 3343522
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide
CID 2995302
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 21216589
N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 4021519

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide (CID 1048171) is 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide is Cc1cc(OCC(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide?
The InChIKey is JBGCWECERGYNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O2/c1-14-10-17(11-15(2)21(14)23)27-13-20(26)24-16-6-7-19(18(22)12-16)25-8-4-3-5-9-25/h6-7,10-12H,3-5,8-9,13H2,1-2H3,(H,24,26).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide has a molecular weight of 407.34 g/mol, XLogP of 5.62, 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-(3-chloro-4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 1048171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).