N-hydroxy-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C21H23F3N2O3 — CID 18687610

IUPACN-hydroxy-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)N(O)C(CN1CCC(O)C1)c1ccccc1
InChIInChI=1S/C21H23F3N2O3/c22-21(23,24)17-8-6-15(7-9-17)12-20(28)26(29)19(16-4-2-1-3-5-16)14-25-11-10-18(27)13-25/h1-9,18-19,27,29H,10-14H2
InChIKeyJRAKCMZRAZMQCS-UHFFFAOYSA-N
MW408.42 g/mol
LogP3.27
Rot. Bonds6

About N-hydroxy-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-hydroxy-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 18687610) has the molecular formula C21H23F3N2O3 and a molecular weight of 408.42 g/mol. Its IUPAC name is N-hydroxy-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-hydroxy-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID18687610
Molecular FormulaC21H23F3N2O3
Molecular Weight408.42 g/mol
Exact Mass408.17
IUPAC NameN-hydroxy-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)N(O)C(CN1CCC(O)C1)c1ccccc1
InChIInChI=1S/C21H23F3N2O3/c22-21(23,24)17-8-6-15(7-9-17)12-20(28)26(29)19(16-4-2-1-3-5-16)14-25-11-10-18(27)13-25/h1-9,18-19,27,29H,10-14H2
InChIKeyJRAKCMZRAZMQCS-UHFFFAOYSA-N
XLogP3.27
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 53.27
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 N-hydroxy-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-hydroxy-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 18687610) is N-hydroxy-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-hydroxy-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-hydroxy-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(C(F)(F)F)cc1)N(O)C(CN1CCC(O)C1)c1ccccc1.
What is the InChIKey of N-hydroxy-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JRAKCMZRAZMQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O3/c22-21(23,24)17-8-6-15(7-9-17)12-20(28)26(29)19(16-4-2-1-3-5-16)14-25-11-10-18(27)13-25/h1-9,18-19,27,29H,10-14H2.
What are the key properties of N-hydroxy-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-hydroxy-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 408.42 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 18687610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).