(3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-(4-pyridin-3-ylphenyl)pentanamide

C24H25FN2O3 — CID 122623192

IUPAC(3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-(4-pyridin-3-ylphenyl)pentanamide
SMILESCCO[C@H](CC(=O)NO)[C@H](Cc1ccc(-c2cccnc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H25FN2O3/c1-2-30-23(15-24(28)27-29)22(19-9-11-21(25)12-10-19)14-17-5-7-18(8-6-17)20-4-3-13-26-16-20/h3-13,16,22-23,29H,2,14-15H2,1H3,(H,27,28)/t22-,23-/m1/s1
InChIKeyCRHCBJQAFFVUNN-DHIUTWEWSA-N
MW408.47 g/mol
LogP4.51
Rot. Bonds9

About (3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-(4-pyridin-3-ylphenyl)pentanamide

(3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-(4-pyridin-3-ylphenyl)pentanamide (PubChem CID 122623192) has the molecular formula C24H25FN2O3 and a molecular weight of 408.47 g/mol. Its IUPAC name is (3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-(4-pyridin-3-ylphenyl)pentanamide.

Molecular Properties

Compound Name(3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-(4-pyridin-3-ylphenyl)pentanamide
PubChem CID122623192
Molecular FormulaC24H25FN2O3
Molecular Weight408.47 g/mol
Exact Mass408.18
IUPAC Name(3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-(4-pyridin-3-ylphenyl)pentanamide
SMILESCCO[C@H](CC(=O)NO)[C@H](Cc1ccc(-c2cccnc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H25FN2O3/c1-2-30-23(15-24(28)27-29)22(19-9-11-21(25)12-10-19)14-17-5-7-18(8-6-17)20-4-3-13-26-16-20/h3-13,16,22-23,29H,2,14-15H2,1H3,(H,27,28)/t22-,23-/m1/s1
InChIKeyCRHCBJQAFFVUNN-DHIUTWEWSA-N
XLogP4.51
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.51
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-pyridin-3-ylphenyl)pentanamide?
The IUPAC name of (3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-(4-pyridin-3-ylphenyl)pentanamide (CID 122623192) is (3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-(4-pyridin-3-ylphenyl)pentanamide.
What is the SMILES notation for (3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-(4-pyridin-3-ylphenyl)pentanamide?
The canonical SMILES for (3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-(4-pyridin-3-ylphenyl)pentanamide is CCO[C@H](CC(=O)NO)[C@H](Cc1ccc(-c2cccnc2)cc1)c1ccc(F)cc1.
What is the InChIKey of (3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-(4-pyridin-3-ylphenyl)pentanamide?
The InChIKey is CRHCBJQAFFVUNN-DHIUTWEWSA-N. The full InChI is InChI=1S/C24H25FN2O3/c1-2-30-23(15-24(28)27-29)22(19-9-11-21(25)12-10-19)14-17-5-7-18(8-6-17)20-4-3-13-26-16-20/h3-13,16,22-23,29H,2,14-15H2,1H3,(H,27,28)/t22-,23-/m1/s1.
What are the key properties of (3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-(4-pyridin-3-ylphenyl)pentanamide?
(3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-(4-pyridin-3-ylphenyl)pentanamide has a molecular weight of 408.47 g/mol, XLogP of 4.51, 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-pyridin-3-ylphenyl)pentanamide is sourced from PubChem (CID 122623192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).