2-(3,4-dichlorophenyl)-N-hydroxy-N-(1-phenyl-2-piperidin-1-ylethyl)acetamide

C21H24Cl2N2O2 — CID 18938999

IUPAC2-(3,4-dichlorophenyl)-N-hydroxy-N-(1-phenyl-2-piperidin-1-ylethyl)acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N(O)C(CN1CCCCC1)c1ccccc1
InChIInChI=1S/C21H24Cl2N2O2/c22-18-10-9-16(13-19(18)23)14-21(26)25(27)20(17-7-3-1-4-8-17)15-24-11-5-2-6-12-24/h1,3-4,7-10,13,20,27H,2,5-6,11-12,14-15H2
InChIKeyIRSRLIBPWZKGKC-UHFFFAOYSA-N
MW407.34 g/mol
LogP4.98
Rot. Bonds6

About 2-(3,4-dichlorophenyl)-N-hydroxy-N-(1-phenyl-2-piperidin-1-ylethyl)acetamide

2-(3,4-dichlorophenyl)-N-hydroxy-N-(1-phenyl-2-piperidin-1-ylethyl)acetamide (PubChem CID 18938999) has the molecular formula C21H24Cl2N2O2 and a molecular weight of 407.34 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-hydroxy-N-(1-phenyl-2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-hydroxy-N-(1-phenyl-2-piperidin-1-ylethyl)acetamide
PubChem CID18938999
Molecular FormulaC21H24Cl2N2O2
Molecular Weight407.34 g/mol
Exact Mass406.12
IUPAC Name2-(3,4-dichlorophenyl)-N-hydroxy-N-(1-phenyl-2-piperidin-1-ylethyl)acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N(O)C(CN1CCCCC1)c1ccccc1
InChIInChI=1S/C21H24Cl2N2O2/c22-18-10-9-16(13-19(18)23)14-21(26)25(27)20(17-7-3-1-4-8-17)15-24-11-5-2-6-12-24/h1,3-4,7-10,13,20,27H,2,5-6,11-12,14-15H2
InChIKeyIRSRLIBPWZKGKC-UHFFFAOYSA-N
XLogP4.98
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.34
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dichlorophenyl)-N-[2-(3,4-dihydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide
CID 123194811
2-(3,4-dichlorophenyl)-N-[(1S)-2-(3-fluoro-3-methylpyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide
CID 121357537
N-methyl-2-phenyl-N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]acetamide
CID 86268866
2-(3,4-dichlorophenyl)-N-[1-[3-(2-hydroxyprop-2-enoxy)phenyl]-2-pyrrolidin-1-ylethyl]-N-methylacetamide;ethane
CID 142136685
2-(3,4-dichlorophenyl)-N-methyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]acetamide;propane
CID 160603620
2-(3,4-dimethylphenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 138739466
N-[(1S)-1-(4-amino-3,5-dibromophenyl)-2-pyrrolidin-1-ylethyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 10393104
N-methyl-2-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 3298213
N-methyl-2-phenyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 86268656
N-[2-(3,6-dihydro-2H-pyridin-1-yl)-1-phenylethyl]-N-hydroxy-2-(2,3,6-trichlorophenyl)acetamide
CID 18939002
2-(3,5-dichlorophenyl)-N-hydroxy-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]acetamide
CID 18687590
2-(3,4-dichlorophenyl)-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N'-methylacetohydrazide
CID 139788084

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-hydroxy-N-(1-phenyl-2-piperidin-1-ylethyl)acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-hydroxy-N-(1-phenyl-2-piperidin-1-ylethyl)acetamide (CID 18938999) is 2-(3,4-dichlorophenyl)-N-hydroxy-N-(1-phenyl-2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-hydroxy-N-(1-phenyl-2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-hydroxy-N-(1-phenyl-2-piperidin-1-ylethyl)acetamide is O=C(Cc1ccc(Cl)c(Cl)c1)N(O)C(CN1CCCCC1)c1ccccc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-hydroxy-N-(1-phenyl-2-piperidin-1-ylethyl)acetamide?
The InChIKey is IRSRLIBPWZKGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O2/c22-18-10-9-16(13-19(18)23)14-21(26)25(27)20(17-7-3-1-4-8-17)15-24-11-5-2-6-12-24/h1,3-4,7-10,13,20,27H,2,5-6,11-12,14-15H2.
What are the key properties of 2-(3,4-dichlorophenyl)-N-hydroxy-N-(1-phenyl-2-piperidin-1-ylethyl)acetamide?
2-(3,4-dichlorophenyl)-N-hydroxy-N-(1-phenyl-2-piperidin-1-ylethyl)acetamide has a molecular weight of 407.34 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-hydroxy-N-(1-phenyl-2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 18938999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).