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

C20H21FN2O4 — CID 87931722

IUPAC2-[(4-fluorophenyl)methyl]-N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)butanediamide
SMILESO=C(CC(Cc1ccc(F)cc1)C(=O)NC1c2ccccc2CC1O)NO
InChIInChI=1S/C20H21FN2O4/c21-15-7-5-12(6-8-15)9-14(11-18(25)23-27)20(26)22-19-16-4-2-1-3-13(16)10-17(19)24/h1-8,14,17,19,24,27H,9-11H2,(H,22,26)(H,23,25)
InChIKeyXDXUCVPULPHDSN-UHFFFAOYSA-N
MW372.40 g/mol
LogP1.65
Rot. Bonds6

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

2-[(4-fluorophenyl)methyl]-N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)butanediamide (PubChem CID 87931722) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)butanediamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)butanediamide
PubChem CID87931722
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name2-[(4-fluorophenyl)methyl]-N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)butanediamide
SMILESO=C(CC(Cc1ccc(F)cc1)C(=O)NC1c2ccccc2CC1O)NO
InChIInChI=1S/C20H21FN2O4/c21-15-7-5-12(6-8-15)9-14(11-18(25)23-27)20(26)22-19-16-4-2-1-3-13(16)10-17(19)24/h1-8,14,17,19,24,27H,9-11H2,(H,22,26)(H,23,25)
InChIKeyXDXUCVPULPHDSN-UHFFFAOYSA-N
XLogP1.65
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.65
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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Related Compounds

2-[[4-(3-fluorophenyl)phenyl]methyl]-N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)butanediamide
CID 74982220
(2R)-2-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-N'-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide
CID 87931649
N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-[(4-phenylmethoxyphenyl)methyl]butanediamide
CID 87931717
2-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]-N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)butanediamide
CID 87931660
(2R,6R)-2,6-dibenzyl-4-hydroxy-N,N'-bis[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]heptanediamide
CID 59923169
2-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide
CID 103870017
(2R,4S)-5-amino-2-benzyl-4-hydroxy-N-[(1S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
CID 144626125
(2R,4R)-2-benzyl-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(2-phenylphenyl)pentanamide
CID 10278160
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(4-fluorophenyl)propanoic acid
CID 79424641
(2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-[2-(methoxymethoxy)phenyl]pentanamide
CID 5480793
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-hydroxyphenyl)acetamide
CID 103819076
(2S)-2-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 16720820

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)butanediamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)butanediamide (CID 87931722) is 2-[(4-fluorophenyl)methyl]-N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)butanediamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)butanediamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)butanediamide is O=C(CC(Cc1ccc(F)cc1)C(=O)NC1c2ccccc2CC1O)NO.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)butanediamide?
The InChIKey is XDXUCVPULPHDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4/c21-15-7-5-12(6-8-15)9-14(11-18(25)23-27)20(26)22-19-16-4-2-1-3-13(16)10-17(19)24/h1-8,14,17,19,24,27H,9-11H2,(H,22,26)(H,23,25).
What are the key properties of 2-[(4-fluorophenyl)methyl]-N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)butanediamide?
2-[(4-fluorophenyl)methyl]-N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)butanediamide has a molecular weight of 372.40 g/mol, XLogP of 1.65, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)butanediamide is sourced from PubChem (CID 87931722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).