potassium (3R,4R)-5-(4-chlorophenyl)-3-ethoxy-4-(4-fluorophenyl)-N-oxidopentanamide

C19H20ClFKNO3 — CID 122623391

IUPACpotassium (3R,4R)-5-(4-chlorophenyl)-3-ethoxy-4-(4-fluorophenyl)-N-oxidopentanamide
SMILESCCO[C@H](CC(=O)N[O-])[C@H](Cc1ccc(Cl)cc1)c1ccc(F)cc1.[K+]
InChIInChI=1S/C19H20ClFNO3.K/c1-2-25-18(12-19(23)22-24)17(14-5-9-16(21)10-6-14)11-13-3-7-15(20)8-4-13;/h3-10,17-18H,2,11-12H2,1H3,(H-,22,23,24);/q-1;+1/t17-,18-;/m1./s1
InChIKeyNZYSGPRCHGTIQR-JAXOOIEVSA-N
MW403.92 g/mol
LogP1.22
Rot. Bonds8

About potassium (3R,4R)-5-(4-chlorophenyl)-3-ethoxy-4-(4-fluorophenyl)-N-oxidopentanamide

potassium (3R,4R)-5-(4-chlorophenyl)-3-ethoxy-4-(4-fluorophenyl)-N-oxidopentanamide (PubChem CID 122623391) has the molecular formula C19H20ClFKNO3 and a molecular weight of 403.92 g/mol. Its IUPAC name is potassium (3R,4R)-5-(4-chlorophenyl)-3-ethoxy-4-(4-fluorophenyl)-N-oxidopentanamide.

Molecular Properties

Compound Namepotassium (3R,4R)-5-(4-chlorophenyl)-3-ethoxy-4-(4-fluorophenyl)-N-oxidopentanamide
PubChem CID122623391
Molecular FormulaC19H20ClFKNO3
Molecular Weight403.92 g/mol
Exact Mass403.08
IUPAC Namepotassium (3R,4R)-5-(4-chlorophenyl)-3-ethoxy-4-(4-fluorophenyl)-N-oxidopentanamide
SMILESCCO[C@H](CC(=O)N[O-])[C@H](Cc1ccc(Cl)cc1)c1ccc(F)cc1.[K+]
InChIInChI=1S/C19H20ClFNO3.K/c1-2-25-18(12-19(23)22-24)17(14-5-9-16(21)10-6-14)11-13-3-7-15(20)8-4-13;/h3-10,17-18H,2,11-12H2,1H3,(H-,22,23,24);/q-1;+1/t17-,18-;/m1./s1
InChIKeyNZYSGPRCHGTIQR-JAXOOIEVSA-N
XLogP1.22
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.92
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze potassium (3R,4R)-5-(4-chlorophenyl)-3-ethoxy-4-(4-fluorophenyl)-N-oxidopentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide
CID 145170995
(3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-(4-pyridin-4-ylphenyl)pentanamide
CID 122623230
5-(4-chlorophenyl)-3-ethoxy-N-hydroxy-4-[4-[2-hydroxyethyl(methyl)amino]phenyl]pentanamide
CID 163539711
tert-butyl 4-[[4-[(2R,3R)-1-(4-chlorophenyl)-3-ethoxy-5-(hydroxyamino)-5-oxopentan-2-yl]phenyl]methyl]piperazine-1-carboxylate
CID 122623402
5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(3,4,5-trifluorophenyl)pentanamide
CID 163942617
(4R)-4-(4-bromophenyl)-5-(4-chlorophenyl)-3-ethoxypentanal
CID 145170937
(3R)-4-(4-bromophenyl)-5-(4-chlorophenyl)-3-ethoxypentanal
CID 122634703
1-bromo-4-[(2R)-1-(4-chlorophenyl)-3-ethoxyhex-5-en-2-yl]benzene
CID 145171014
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-methylbutanamide
CID 10237327
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(4-chlorophenyl)-2-methylpropanamide
CID 22270527
ethyl (2R)-2-bromo-3-(4-chlorophenyl)propanoate
CID 2313752
(3R,4R)-4-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]-4-hydroxybutan-2-one
CID 102347185

Frequently Asked Questions

What is the IUPAC name of potassium (3R,4R)-5-(4-chlorophenyl)-3-ethoxy-4-(4-fluorophenyl)-N-oxidopentanamide?
The IUPAC name of potassium (3R,4R)-5-(4-chlorophenyl)-3-ethoxy-4-(4-fluorophenyl)-N-oxidopentanamide (CID 122623391) is potassium (3R,4R)-5-(4-chlorophenyl)-3-ethoxy-4-(4-fluorophenyl)-N-oxidopentanamide.
What is the SMILES notation for potassium (3R,4R)-5-(4-chlorophenyl)-3-ethoxy-4-(4-fluorophenyl)-N-oxidopentanamide?
The canonical SMILES for potassium (3R,4R)-5-(4-chlorophenyl)-3-ethoxy-4-(4-fluorophenyl)-N-oxidopentanamide is CCO[C@H](CC(=O)N[O-])[C@H](Cc1ccc(Cl)cc1)c1ccc(F)cc1.[K+].
What is the InChIKey of potassium (3R,4R)-5-(4-chlorophenyl)-3-ethoxy-4-(4-fluorophenyl)-N-oxidopentanamide?
The InChIKey is NZYSGPRCHGTIQR-JAXOOIEVSA-N. The full InChI is InChI=1S/C19H20ClFNO3.K/c1-2-25-18(12-19(23)22-24)17(14-5-9-16(21)10-6-14)11-13-3-7-15(20)8-4-13;/h3-10,17-18H,2,11-12H2,1H3,(H-,22,23,24);/q-1;+1/t17-,18-;/m1./s1.
What are the key properties of potassium (3R,4R)-5-(4-chlorophenyl)-3-ethoxy-4-(4-fluorophenyl)-N-oxidopentanamide?
potassium (3R,4R)-5-(4-chlorophenyl)-3-ethoxy-4-(4-fluorophenyl)-N-oxidopentanamide has a molecular weight of 403.92 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (3R,4R)-5-(4-chlorophenyl)-3-ethoxy-4-(4-fluorophenyl)-N-oxidopentanamide is sourced from PubChem (CID 122623391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).