2-[[4-(3-fluorophenyl)phenyl]methyl]-N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)butanediamide

C26H25FN2O4 — CID 74982220

IUPAC2-[[4-(3-fluorophenyl)phenyl]methyl]-N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)butanediamide
SMILESO=C(CC(Cc1ccc(-c2cccc(F)c2)cc1)C(=O)NC1c2ccccc2CC1O)NO
InChIInChI=1S/C26H25FN2O4/c27-21-6-3-5-18(13-21)17-10-8-16(9-11-17)12-20(15-24(31)29-33)26(32)28-25-22-7-2-1-4-19(22)14-23(25)30/h1-11,13,20,23,25,30,33H,12,14-15H2,(H,28,32)(H,29,31)
InChIKeyKLPLOGXKUWGLSE-UHFFFAOYSA-N
MW448.49 g/mol
LogP3.32
Rot. Bonds7

About 2-[[4-(3-fluorophenyl)phenyl]methyl]-N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)butanediamide

2-[[4-(3-fluorophenyl)phenyl]methyl]-N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)butanediamide (PubChem CID 74982220) has the molecular formula C26H25FN2O4 and a molecular weight of 448.49 g/mol. Its IUPAC name is 2-[[4-(3-fluorophenyl)phenyl]methyl]-N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)butanediamide.

Molecular Properties

Compound Name2-[[4-(3-fluorophenyl)phenyl]methyl]-N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)butanediamide
PubChem CID74982220
Molecular FormulaC26H25FN2O4
Molecular Weight448.49 g/mol
Exact Mass448.18
IUPAC Name2-[[4-(3-fluorophenyl)phenyl]methyl]-N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)butanediamide
SMILESO=C(CC(Cc1ccc(-c2cccc(F)c2)cc1)C(=O)NC1c2ccccc2CC1O)NO
InChIInChI=1S/C26H25FN2O4/c27-21-6-3-5-18(13-21)17-10-8-16(9-11-17)12-20(15-24(31)29-33)26(32)28-25-22-7-2-1-4-19(22)14-23(25)30/h1-11,13,20,23,25,30,33H,12,14-15H2,(H,28,32)(H,29,31)
InChIKeyKLPLOGXKUWGLSE-UHFFFAOYSA-N
XLogP3.32
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 53.32
H-Bond Donors ≤ 54
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-[[4-(3-fluorophenyl)phenyl]methyl]-N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)butanediamide?
The IUPAC name of 2-[[4-(3-fluorophenyl)phenyl]methyl]-N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)butanediamide (CID 74982220) is 2-[[4-(3-fluorophenyl)phenyl]methyl]-N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)butanediamide.
What is the SMILES notation for 2-[[4-(3-fluorophenyl)phenyl]methyl]-N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)butanediamide?
The canonical SMILES for 2-[[4-(3-fluorophenyl)phenyl]methyl]-N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)butanediamide is O=C(CC(Cc1ccc(-c2cccc(F)c2)cc1)C(=O)NC1c2ccccc2CC1O)NO.
What is the InChIKey of 2-[[4-(3-fluorophenyl)phenyl]methyl]-N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)butanediamide?
The InChIKey is KLPLOGXKUWGLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O4/c27-21-6-3-5-18(13-21)17-10-8-16(9-11-17)12-20(15-24(31)29-33)26(32)28-25-22-7-2-1-4-19(22)14-23(25)30/h1-11,13,20,23,25,30,33H,12,14-15H2,(H,28,32)(H,29,31).
What are the key properties of 2-[[4-(3-fluorophenyl)phenyl]methyl]-N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)butanediamide?
2-[[4-(3-fluorophenyl)phenyl]methyl]-N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)butanediamide has a molecular weight of 448.49 g/mol, XLogP of 3.32, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-fluorophenyl)phenyl]methyl]-N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)butanediamide is sourced from PubChem (CID 74982220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).