(3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-[4-(hydroxymethyl)phenyl]pentanamide

C20H24FNO4 — CID 122623199

IUPAC(3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-[4-(hydroxymethyl)phenyl]pentanamide
SMILESCCO[C@H](CC(=O)NO)[C@H](Cc1ccc(CO)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H24FNO4/c1-2-26-19(12-20(24)22-25)18(16-7-9-17(21)10-8-16)11-14-3-5-15(13-23)6-4-14/h3-10,18-19,23,25H,2,11-13H2,1H3,(H,22,24)/t18-,19-/m1/s1
InChIKeyZQICYLGFOINTEU-RTBURBONSA-N
MW361.41 g/mol
LogP2.94
Rot. Bonds9

About (3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-[4-(hydroxymethyl)phenyl]pentanamide

(3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-[4-(hydroxymethyl)phenyl]pentanamide (PubChem CID 122623199) has the molecular formula C20H24FNO4 and a molecular weight of 361.41 g/mol. Its IUPAC name is (3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-[4-(hydroxymethyl)phenyl]pentanamide.

Molecular Properties

Compound Name(3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-[4-(hydroxymethyl)phenyl]pentanamide
PubChem CID122623199
Molecular FormulaC20H24FNO4
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name(3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-[4-(hydroxymethyl)phenyl]pentanamide
SMILESCCO[C@H](CC(=O)NO)[C@H](Cc1ccc(CO)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H24FNO4/c1-2-26-19(12-20(24)22-25)18(16-7-9-17(21)10-8-16)11-14-3-5-15(13-23)6-4-14/h3-10,18-19,23,25H,2,11-13H2,1H3,(H,22,24)/t18-,19-/m1/s1
InChIKeyZQICYLGFOINTEU-RTBURBONSA-N
XLogP2.94
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.94
H-Bond Donors ≤ 53
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

(2S,3S)-N,3-dihydroxy-2,4-dimethyl-2-[(4-phenylphenyl)methoxy]pentanamide
CID 45254637
(2S,3S)-N,3-dihydroxy-2,5-dimethyl-2-[(4-phenylphenyl)methoxy]hexanamide
CID 70681061
(2S,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]heptanamide
CID 70693660
3-(2-fluorophenyl)-N,3-dihydroxypropanamide
CID 72707600
3-(3-fluorophenyl)-N,3-dihydroxypropanamide
CID 72707603
3-(4-fluorophenyl)-N,3-dihydroxypropanamide
CID 72707668
N,3-dihydroxy-3-[4-(trifluoromethyl)phenyl]propanamide
CID 72707669
3-Hydroxy-3-(4-methylphenyl)propanamide
CID 102384287
N,6-dihydroxy-6-[4-[4-(trifluoromethyl)phenyl]phenyl]hexanamide
CID 9820571
(3S)-4-(2,5-difluorophenyl)-3-hydroxy-N-phenylmethoxybutanamide
CID 11484061
2-[4-[4-(2,2,2-Trifluoro-1-hydroxyethyl)phenyl]phenyl]propanamide
CID 15941653
2-[4-[4-(2,2-Difluoro-1-hydroxyethyl)phenyl]-3-fluorophenyl]acetamide
CID 15941657

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-[4-(hydroxymethyl)phenyl]pentanamide?
The IUPAC name of (3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-[4-(hydroxymethyl)phenyl]pentanamide (CID 122623199) is (3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-[4-(hydroxymethyl)phenyl]pentanamide.
What is the SMILES notation for (3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-[4-(hydroxymethyl)phenyl]pentanamide?
The canonical SMILES for (3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-[4-(hydroxymethyl)phenyl]pentanamide is CCO[C@H](CC(=O)NO)[C@H](Cc1ccc(CO)cc1)c1ccc(F)cc1.
What is the InChIKey of (3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-[4-(hydroxymethyl)phenyl]pentanamide?
The InChIKey is ZQICYLGFOINTEU-RTBURBONSA-N. The full InChI is InChI=1S/C20H24FNO4/c1-2-26-19(12-20(24)22-25)18(16-7-9-17(21)10-8-16)11-14-3-5-15(13-23)6-4-14/h3-10,18-19,23,25H,2,11-13H2,1H3,(H,22,24)/t18-,19-/m1/s1.
What are the key properties of (3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-[4-(hydroxymethyl)phenyl]pentanamide?
(3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-[4-(hydroxymethyl)phenyl]pentanamide has a molecular weight of 361.41 g/mol, XLogP of 2.94, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-[4-(hydroxymethyl)phenyl]pentanamide is sourced from PubChem (CID 122623199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).