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

C25H27FN2O3 — CID 122623318

IUPAC(3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-[4-(5-methyl-3-pyridinyl)phenyl]pentanamide
SMILESCCO[C@H](CC(=O)NO)[C@H](Cc1ccc(-c2cncc(C)c2)cc1)c1ccc(F)cc1
InChIInChI=1S/C25H27FN2O3/c1-3-31-24(14-25(29)28-30)23(20-8-10-22(26)11-9-20)13-18-4-6-19(7-5-18)21-12-17(2)15-27-16-21/h4-12,15-16,23-24,30H,3,13-14H2,1-2H3,(H,28,29)/t23-,24-/m1/s1
InChIKeyQRWIIUOITNMMBL-DNQXCXABSA-N
MW422.50 g/mol
LogP4.82
Rot. Bonds9

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

(3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-[4-(5-methyl-3-pyridinyl)phenyl]pentanamide (PubChem CID 122623318) has the molecular formula C25H27FN2O3 and a molecular weight of 422.50 g/mol. Its IUPAC name is (3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-[4-(5-methyl-3-pyridinyl)phenyl]pentanamide.

Molecular Properties

Compound Name(3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-[4-(5-methyl-3-pyridinyl)phenyl]pentanamide
PubChem CID122623318
Molecular FormulaC25H27FN2O3
Molecular Weight422.50 g/mol
Exact Mass422.20
IUPAC Name(3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-[4-(5-methyl-3-pyridinyl)phenyl]pentanamide
SMILESCCO[C@H](CC(=O)NO)[C@H](Cc1ccc(-c2cncc(C)c2)cc1)c1ccc(F)cc1
InChIInChI=1S/C25H27FN2O3/c1-3-31-24(14-25(29)28-30)23(20-8-10-22(26)11-9-20)13-18-4-6-19(7-5-18)21-12-17(2)15-27-16-21/h4-12,15-16,23-24,30H,3,13-14H2,1-2H3,(H,28,29)/t23-,24-/m1/s1
InChIKeyQRWIIUOITNMMBL-DNQXCXABSA-N
XLogP4.82
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.82
H-Bond Donors ≤ 52
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 (3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-[4-(5-methyl-3-pyridinyl)phenyl]pentanamide?
The IUPAC name of (3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-[4-(5-methyl-3-pyridinyl)phenyl]pentanamide (CID 122623318) is (3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-[4-(5-methyl-3-pyridinyl)phenyl]pentanamide.
What is the SMILES notation for (3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-[4-(5-methyl-3-pyridinyl)phenyl]pentanamide?
The canonical SMILES for (3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-[4-(5-methyl-3-pyridinyl)phenyl]pentanamide is CCO[C@H](CC(=O)NO)[C@H](Cc1ccc(-c2cncc(C)c2)cc1)c1ccc(F)cc1.
What is the InChIKey of (3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-[4-(5-methyl-3-pyridinyl)phenyl]pentanamide?
The InChIKey is QRWIIUOITNMMBL-DNQXCXABSA-N. The full InChI is InChI=1S/C25H27FN2O3/c1-3-31-24(14-25(29)28-30)23(20-8-10-22(26)11-9-20)13-18-4-6-19(7-5-18)21-12-17(2)15-27-16-21/h4-12,15-16,23-24,30H,3,13-14H2,1-2H3,(H,28,29)/t23-,24-/m1/s1.
What are the key properties of (3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-[4-(5-methyl-3-pyridinyl)phenyl]pentanamide?
(3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-[4-(5-methyl-3-pyridinyl)phenyl]pentanamide has a molecular weight of 422.50 g/mol, XLogP of 4.82, 9 rotatable bonds, 2 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-(5-methyl-3-pyridinyl)phenyl]pentanamide is sourced from PubChem (CID 122623318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).