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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-difluorophenyl)-N-hydroxy-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]acetamide
CID 18392004
2-(3,4-dichlorophenyl)-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N'-methylacetohydrazide
CID 139788084
N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 11304930
2-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methylacetamide
CID 58689371
N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2-(3-nitrophenyl)acetamide
CID 18653199
2-(3,4-dichlorophenyl)-N-hydroxy-N-(1-phenyl-2-piperidin-1-ylethyl)acetamide
CID 18938999
2-(4-chloroanilino)-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide
CID 67854423
2-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-N-[(1S)-2-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methylacetamide
CID 159694946
(2-chlorobenzoyl)azanide;(3S)-1-[(2S)-2-(dimethylamino)-2-phenylethyl]pyrrolidin-3-ol;praseodymium
CID 160869676
N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2-(4-nitrophenyl)acetamide
CID 57021853
N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-2-(N-methylanilino)acetamide
CID 21074159
2-[3-(carbamoylamino)phenyl]-N-[(1R)-2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide
CID 67854380

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).