N-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-2-fluorobenzamide

C21H23FN2O5 — CID 134466591

IUPACN-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-2-fluorobenzamide
SMILESC[C@@]1(CN(O)C(=O)c2ccccc2)CO[C@H](CNC(=O)c2ccccc2F)[C@H]1O
InChIInChI=1S/C21H23FN2O5/c1-21(12-24(28)20(27)14-7-3-2-4-8-14)13-29-17(18(21)25)11-23-19(26)15-9-5-6-10-16(15)22/h2-10,17-18,25,28H,11-13H2,1H3,(H,23,26)/t17-,18-,21-/m1/s1
InChIKeyVJGWXAKUYKVPJO-DBXWQHBBSA-N
MW402.42 g/mol
LogP1.85
Rot. Bonds6

About N-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-2-fluorobenzamide

N-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-2-fluorobenzamide (PubChem CID 134466591) has the molecular formula C21H23FN2O5 and a molecular weight of 402.42 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-2-fluorobenzamide
PubChem CID134466591
Molecular FormulaC21H23FN2O5
Molecular Weight402.42 g/mol
Exact Mass402.16
IUPAC NameN-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-2-fluorobenzamide
SMILESC[C@@]1(CN(O)C(=O)c2ccccc2)CO[C@H](CNC(=O)c2ccccc2F)[C@H]1O
InChIInChI=1S/C21H23FN2O5/c1-21(12-24(28)20(27)14-7-3-2-4-8-14)13-29-17(18(21)25)11-23-19(26)15-9-5-6-10-16(15)22/h2-10,17-18,25,28H,11-13H2,1H3,(H,23,26)/t17-,18-,21-/m1/s1
InChIKeyVJGWXAKUYKVPJO-DBXWQHBBSA-N
XLogP1.85
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 51.85
H-Bond Donors ≤ 53
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

N-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-3,4-difluorobenzamide
CID 134466866
N-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-4-chloropyridine-3-carboxamide
CID 134466612
N-[[(3R,4S,5R)-5-[[(4-chlorophenyl)sulfonylamino]methyl]-4-hydroxy-3-methyloxolan-3-yl]methyl]-N-hydroxybenzamide
CID 134466635
N-[[(2R,3R,4S)-4-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]benzamide
CID 129185581
N-[[(2R,4S)-4-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]benzamide
CID 118652223
2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79359338
N-[[(3S,4R,5R)-3,4-dihydroxy-5-[(phenylcarbamothioylamino)methyl]oxolan-3-yl]methyl]-N-hydroxybenzamide
CID 134466706
N-[[(2R,3R,4S)-4-(2-benzamidoethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-chloropyridine-3-carboxamide
CID 129206718
N-[2-(1,3-dioxan-2-yl)ethyl]-2-fluorobenzamide
CID 110370059
N-[[(4S,5R)-4-(benzamidomethyl)-2,2-dimethyl-1,3,6-trioxocan-5-yl]methyl]-2-bromobenzamide
CID 129207170
2-fluoro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide
CID 53017144
2-fluoro-N-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 95052044

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-2-fluorobenzamide?
The IUPAC name of N-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-2-fluorobenzamide (CID 134466591) is N-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-2-fluorobenzamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-2-fluorobenzamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-2-fluorobenzamide is C[C@@]1(CN(O)C(=O)c2ccccc2)CO[C@H](CNC(=O)c2ccccc2F)[C@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-2-fluorobenzamide?
The InChIKey is VJGWXAKUYKVPJO-DBXWQHBBSA-N. The full InChI is InChI=1S/C21H23FN2O5/c1-21(12-24(28)20(27)14-7-3-2-4-8-14)13-29-17(18(21)25)11-23-19(26)15-9-5-6-10-16(15)22/h2-10,17-18,25,28H,11-13H2,1H3,(H,23,26)/t17-,18-,21-/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-2-fluorobenzamide?
N-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-2-fluorobenzamide has a molecular weight of 402.42 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-2-fluorobenzamide is sourced from PubChem (CID 134466591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).