5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide

C19H20ClF2NO3 — CID 145170995

IUPAC5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide
SMILESCCOC(CC(=O)NO)C(Cc1ccc(Cl)cc1)c1ccc(F)cc1F
InChIInChI=1S/C19H20ClF2NO3/c1-2-26-18(11-19(24)23-25)16(9-12-3-5-13(20)6-4-12)15-8-7-14(21)10-17(15)22/h3-8,10,16,18,25H,2,9,11H2,1H3,(H,23,24)
InChIKeyLRQBGFUQXOIFTO-UHFFFAOYSA-N
MW383.82 g/mol
LogP4.25
Rot. Bonds8

About 5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide

5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide (PubChem CID 145170995) has the molecular formula C19H20ClF2NO3 and a molecular weight of 383.82 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide
PubChem CID145170995
Molecular FormulaC19H20ClF2NO3
Molecular Weight383.82 g/mol
Exact Mass383.11
IUPAC Name5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide
SMILESCCOC(CC(=O)NO)C(Cc1ccc(Cl)cc1)c1ccc(F)cc1F
InChIInChI=1S/C19H20ClF2NO3/c1-2-26-18(11-19(24)23-25)16(9-12-3-5-13(20)6-4-12)15-8-7-14(21)10-17(15)22/h3-8,10,16,18,25H,2,9,11H2,1H3,(H,23,24)
InChIKeyLRQBGFUQXOIFTO-UHFFFAOYSA-N
XLogP4.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.82
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

potassium (3R,4R)-5-(4-chlorophenyl)-3-ethoxy-4-(4-fluorophenyl)-N-oxidopentanamide
CID 122623391
(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2,3,4,5-tetrafluorophenyl)pentanamide
CID 122623397
5-(4-chlorophenyl)-3-ethoxy-N-hydroxy-4-[4-[2-hydroxyethyl(methyl)amino]phenyl]pentanamide
CID 163539711
5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(3,4,5-trifluorophenyl)pentanamide
CID 163942617
(3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-(4-pyridin-4-ylphenyl)pentanamide
CID 122623230
(3R,4R)-4-(4-bromo-2-fluorophenyl)-5-(4-chloro-2-methylphenyl)-N-hydroxy-3-methoxypentanamide
CID 122623366
tert-butyl 4-[[4-[(2R,3R)-1-(4-chlorophenyl)-3-ethoxy-5-(hydroxyamino)-5-oxopentan-2-yl]phenyl]methyl]piperazine-1-carboxylate
CID 122623402
3-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propanamide
CID 43035582
5-(4-chlorophenyl)-N-hydroxy-4-[2-(2-hydroxyethyl)pyrazol-3-yl]-3-methoxypentanamide
CID 155409664
oxidanium;potassium;[(3R)-5-(4-chloro-2-methylphenyl)-4-(2,4-difluorophenyl)-3-methoxypentanoyl]azanide
CID 140752974
1-(2,4-difluorophenyl)-2-ethoxy-N-propylbutan-1-amine
CID 116717237
ethyl (2R)-2-bromo-3-(4-chlorophenyl)propanoate
CID 2313752

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide?
The IUPAC name of 5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide (CID 145170995) is 5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide.
What is the SMILES notation for 5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide?
The canonical SMILES for 5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide is CCOC(CC(=O)NO)C(Cc1ccc(Cl)cc1)c1ccc(F)cc1F.
What is the InChIKey of 5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide?
The InChIKey is LRQBGFUQXOIFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF2NO3/c1-2-26-18(11-19(24)23-25)16(9-12-3-5-13(20)6-4-12)15-8-7-14(21)10-17(15)22/h3-8,10,16,18,25H,2,9,11H2,1H3,(H,23,24).
What are the key properties of 5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide?
5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide has a molecular weight of 383.82 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide is sourced from PubChem (CID 145170995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).