3-fluoro-N-[4-(hydroxyamino)-3-[3-(3-hydroxypropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]benzamide

C26H32FN3O5 — CID 54187029

IUPAC3-fluoro-N-[4-(hydroxyamino)-3-[3-(3-hydroxypropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]benzamide
SMILESO=C(NCCC(C(=O)NO)C1(CCCO)CCN(CCc2ccccc2)C1=O)c1cccc(F)c1
InChIInChI=1S/C26H32FN3O5/c27-21-9-4-8-20(18-21)23(32)28-14-10-22(24(33)29-35)26(12-5-17-31)13-16-30(25(26)34)15-11-19-6-2-1-3-7-19/h1-4,6-9,18,22,31,35H,5,10-17H2,(H,28,32)(H,29,33)
InChIKeyPFUISUBJWBYUDJ-UHFFFAOYSA-N
MW485.56 g/mol
LogP2.30
Rot. Bonds12

About 3-fluoro-N-[4-(hydroxyamino)-3-[3-(3-hydroxypropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]benzamide

3-fluoro-N-[4-(hydroxyamino)-3-[3-(3-hydroxypropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]benzamide (PubChem CID 54187029) has the molecular formula C26H32FN3O5 and a molecular weight of 485.56 g/mol. Its IUPAC name is 3-fluoro-N-[4-(hydroxyamino)-3-[3-(3-hydroxypropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(hydroxyamino)-3-[3-(3-hydroxypropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]benzamide
PubChem CID54187029
Molecular FormulaC26H32FN3O5
Molecular Weight485.56 g/mol
Exact Mass485.23
IUPAC Name3-fluoro-N-[4-(hydroxyamino)-3-[3-(3-hydroxypropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]benzamide
SMILESO=C(NCCC(C(=O)NO)C1(CCCO)CCN(CCc2ccccc2)C1=O)c1cccc(F)c1
InChIInChI=1S/C26H32FN3O5/c27-21-9-4-8-20(18-21)23(32)28-14-10-22(24(33)29-35)26(12-5-17-31)13-16-30(25(26)34)15-11-19-6-2-1-3-7-19/h1-4,6-9,18,22,31,35H,5,10-17H2,(H,28,32)(H,29,33)
InChIKeyPFUISUBJWBYUDJ-UHFFFAOYSA-N
XLogP2.30
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

3-fluoro-N-[4-(hydroxyamino)-3-[(3S)-3-(2-methylpropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]benzamide
CID 149101041
N-[4-(hydroxyamino)-3-[3-(2-methylpropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]-4-phenylbenzamide
CID 19705571
N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propyl]-3-fluorobenzamide;hydrochloride
CID 119323433
3-fluoro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892619
N-(3-amino-3-phenylpropyl)-3-fluorobenzamide
CID 80506781
3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid
CID 60893305
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3-fluorobenzamide
CID 110397771
N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-fluorobenzamide
CID 112501997
3-fluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide
CID 46965021
N-[2-[acetyl(2-phenylethyl)amino]ethyl]-3-fluorobenzamide
CID 113055543
3-fluoro-N-(pyridin-1-ium-3-ylmethyl)benzamide chloride
CID 20787057
N-[3-(4-aminophenyl)propyl]-3-fluorobenzamide
CID 39371536

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(hydroxyamino)-3-[3-(3-hydroxypropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]benzamide?
The IUPAC name of 3-fluoro-N-[4-(hydroxyamino)-3-[3-(3-hydroxypropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]benzamide (CID 54187029) is 3-fluoro-N-[4-(hydroxyamino)-3-[3-(3-hydroxypropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-(hydroxyamino)-3-[3-(3-hydroxypropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-(hydroxyamino)-3-[3-(3-hydroxypropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]benzamide is O=C(NCCC(C(=O)NO)C1(CCCO)CCN(CCc2ccccc2)C1=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[4-(hydroxyamino)-3-[3-(3-hydroxypropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]benzamide?
The InChIKey is PFUISUBJWBYUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O5/c27-21-9-4-8-20(18-21)23(32)28-14-10-22(24(33)29-35)26(12-5-17-31)13-16-30(25(26)34)15-11-19-6-2-1-3-7-19/h1-4,6-9,18,22,31,35H,5,10-17H2,(H,28,32)(H,29,33).
What are the key properties of 3-fluoro-N-[4-(hydroxyamino)-3-[3-(3-hydroxypropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]benzamide?
3-fluoro-N-[4-(hydroxyamino)-3-[3-(3-hydroxypropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]benzamide has a molecular weight of 485.56 g/mol, XLogP of 2.30, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(hydroxyamino)-3-[3-(3-hydroxypropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]benzamide is sourced from PubChem (CID 54187029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).