2-(3,5-dichlorophenyl)-N-hydroxy-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]acetamide

C20H22Cl2N2O3 — CID 18687590

IUPAC2-(3,5-dichlorophenyl)-N-hydroxy-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]acetamide
SMILESO=C(Cc1cc(Cl)cc(Cl)c1)N(O)C(CN1CCC(O)C1)c1ccccc1
InChIInChI=1S/C20H22Cl2N2O3/c21-16-8-14(9-17(22)11-16)10-20(26)24(27)19(15-4-2-1-3-5-15)13-23-7-6-18(25)12-23/h1-5,8-9,11,18-19,25,27H,6-7,10,12-13H2
InChIKeyDPUNRQLZXIZDCA-UHFFFAOYSA-N
MW409.31 g/mol
LogP3.56
Rot. Bonds6

About 2-(3,5-dichlorophenyl)-N-hydroxy-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]acetamide

2-(3,5-dichlorophenyl)-N-hydroxy-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]acetamide (PubChem CID 18687590) has the molecular formula C20H22Cl2N2O3 and a molecular weight of 409.31 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-N-hydroxy-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-N-hydroxy-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]acetamide
PubChem CID18687590
Molecular FormulaC20H22Cl2N2O3
Molecular Weight409.31 g/mol
Exact Mass408.10
IUPAC Name2-(3,5-dichlorophenyl)-N-hydroxy-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]acetamide
SMILESO=C(Cc1cc(Cl)cc(Cl)c1)N(O)C(CN1CCC(O)C1)c1ccccc1
InChIInChI=1S/C20H22Cl2N2O3/c21-16-8-14(9-17(22)11-16)10-20(26)24(27)19(15-4-2-1-3-5-15)13-23-7-6-18(25)12-23/h1-5,8-9,11,18-19,25,27H,6-7,10,12-13H2
InChIKeyDPUNRQLZXIZDCA-UHFFFAOYSA-N
XLogP3.56
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-N-hydroxy-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]acetamide?
The IUPAC name of 2-(3,5-dichlorophenyl)-N-hydroxy-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]acetamide (CID 18687590) is 2-(3,5-dichlorophenyl)-N-hydroxy-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-N-hydroxy-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(3,5-dichlorophenyl)-N-hydroxy-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]acetamide is O=C(Cc1cc(Cl)cc(Cl)c1)N(O)C(CN1CCC(O)C1)c1ccccc1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-N-hydroxy-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]acetamide?
The InChIKey is DPUNRQLZXIZDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O3/c21-16-8-14(9-17(22)11-16)10-20(26)24(27)19(15-4-2-1-3-5-15)13-23-7-6-18(25)12-23/h1-5,8-9,11,18-19,25,27H,6-7,10,12-13H2.
What are the key properties of 2-(3,5-dichlorophenyl)-N-hydroxy-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]acetamide?
2-(3,5-dichlorophenyl)-N-hydroxy-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]acetamide has a molecular weight of 409.31 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-N-hydroxy-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]acetamide is sourced from PubChem (CID 18687590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).