3-ethoxy-N-hydroxy-5-(3-pyridin-4-ylphenyl)pentanamide;fluorobenzene

C24H27FN2O3 — CID 145171017

IUPAC3-ethoxy-N-hydroxy-5-(3-pyridin-4-ylphenyl)pentanamide;fluorobenzene
SMILESCCOC(CCc1cccc(-c2ccncc2)c1)CC(=O)NO.Fc1ccccc1
InChIInChI=1S/C18H22N2O3.C6H5F/c1-2-23-17(13-18(21)20-22)7-6-14-4-3-5-16(12-14)15-8-10-19-11-9-15;7-6-4-2-1-3-5-6/h3-5,8-12,17,22H,2,6-7,13H2,1H3,(H,20,21);1-5H
InChIKeyAHHGBHQYIHELLR-UHFFFAOYSA-N
MW410.49 g/mol
LogP4.81
Rot. Bonds8

About 3-ethoxy-N-hydroxy-5-(3-pyridin-4-ylphenyl)pentanamide;fluorobenzene

3-ethoxy-N-hydroxy-5-(3-pyridin-4-ylphenyl)pentanamide;fluorobenzene (PubChem CID 145171017) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is 3-ethoxy-N-hydroxy-5-(3-pyridin-4-ylphenyl)pentanamide;fluorobenzene.

Molecular Properties

Compound Name3-ethoxy-N-hydroxy-5-(3-pyridin-4-ylphenyl)pentanamide;fluorobenzene
PubChem CID145171017
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name3-ethoxy-N-hydroxy-5-(3-pyridin-4-ylphenyl)pentanamide;fluorobenzene
SMILESCCOC(CCc1cccc(-c2ccncc2)c1)CC(=O)NO.Fc1ccccc1
InChIInChI=1S/C18H22N2O3.C6H5F/c1-2-23-17(13-18(21)20-22)7-6-14-4-3-5-16(12-14)15-8-10-19-11-9-15;7-6-4-2-1-3-5-6/h3-5,8-12,17,22H,2,6-7,13H2,1H3,(H,20,21);1-5H
InChIKeyAHHGBHQYIHELLR-UHFFFAOYSA-N
XLogP4.81
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.81
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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Related Compounds

2-(2-fluorophenyl)-N-hydroxy-2-(4-pyridin-4-ylphenyl)acetamide
CID 155523278
3-(4-fluorophenyl)-4-methyl-N-[phenyl(pyridin-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16677274
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-2-(1-oxidopyridin-1-ium-3-yl)acetamide
CID 10116051
N-[1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-2-(1-oxidopyridin-1-ium-3-yl)acetamide
CID 21086234
N-[(2R,3S)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-2-(1-oxidopyridin-1-ium-3-yl)acetamide
CID 58802470
N-[(3-fluorophenyl)methyl]-2-[4-(1-hydroxypyridin-1-ium-4-yl)phenyl]acetamide
CID 59000731
(3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-(4-pyridin-3-ylphenyl)pentanamide
CID 122623192
(3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-(4-pyridin-4-ylphenyl)pentanamide
CID 122623230
(3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-(3-pyridin-4-ylphenyl)pentanamide
CID 122623275
(3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-[4-(5-methyl-3-pyridinyl)phenyl]pentanamide
CID 122623318
(2R)-2-[[(5S)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-hydroxy-2-methylbutanamide
CID 126545604
(3R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-(4-pyridin-3-ylphenyl)pentanamide
CID 126559712

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-hydroxy-5-(3-pyridin-4-ylphenyl)pentanamide;fluorobenzene?
The IUPAC name of 3-ethoxy-N-hydroxy-5-(3-pyridin-4-ylphenyl)pentanamide;fluorobenzene (CID 145171017) is 3-ethoxy-N-hydroxy-5-(3-pyridin-4-ylphenyl)pentanamide;fluorobenzene.
What is the SMILES notation for 3-ethoxy-N-hydroxy-5-(3-pyridin-4-ylphenyl)pentanamide;fluorobenzene?
The canonical SMILES for 3-ethoxy-N-hydroxy-5-(3-pyridin-4-ylphenyl)pentanamide;fluorobenzene is CCOC(CCc1cccc(-c2ccncc2)c1)CC(=O)NO.Fc1ccccc1.
What is the InChIKey of 3-ethoxy-N-hydroxy-5-(3-pyridin-4-ylphenyl)pentanamide;fluorobenzene?
The InChIKey is AHHGBHQYIHELLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3.C6H5F/c1-2-23-17(13-18(21)20-22)7-6-14-4-3-5-16(12-14)15-8-10-19-11-9-15;7-6-4-2-1-3-5-6/h3-5,8-12,17,22H,2,6-7,13H2,1H3,(H,20,21);1-5H.
What are the key properties of 3-ethoxy-N-hydroxy-5-(3-pyridin-4-ylphenyl)pentanamide;fluorobenzene?
3-ethoxy-N-hydroxy-5-(3-pyridin-4-ylphenyl)pentanamide;fluorobenzene has a molecular weight of 410.49 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-hydroxy-5-(3-pyridin-4-ylphenyl)pentanamide;fluorobenzene is sourced from PubChem (CID 145171017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).