oxidanium;potassium;[(3R)-5-(4-chloro-2-methylphenyl)-4-(2,4-difluorophenyl)-3-methoxypentanoyl]azanide

C19H22ClF2KNO3+ — CID 140752974

IUPACoxidanium;potassium;[(3R)-5-(4-chloro-2-methylphenyl)-4-(2,4-difluorophenyl)-3-methoxypentanoyl]azanide
SMILESCO[C@H](CC([NH-])=O)C(Cc1ccc(Cl)cc1C)c1ccc(F)cc1F.[K+].[OH3+]
InChIInChI=1S/C19H20ClF2NO2.K.H2O/c1-11-7-13(20)4-3-12(11)8-16(18(25-2)10-19(23)24)15-6-5-14(21)9-17(15)22;;/h3-7,9,16,18H,8,10H2,1-2H3,(H2,23,24);;1H2/q;+1;/t16?,18-;;/m1../s1
InChIKeyQSJCBJDVBJGTFQ-UNNXDVLSSA-N
MW424.94 g/mol
LogP1.32
Rot. Bonds7

About oxidanium;potassium;[(3R)-5-(4-chloro-2-methylphenyl)-4-(2,4-difluorophenyl)-3-methoxypentanoyl]azanide

oxidanium;potassium;[(3R)-5-(4-chloro-2-methylphenyl)-4-(2,4-difluorophenyl)-3-methoxypentanoyl]azanide (PubChem CID 140752974) has the molecular formula C19H22ClF2KNO3+ and a molecular weight of 424.94 g/mol. Its IUPAC name is oxidanium;potassium;[(3R)-5-(4-chloro-2-methylphenyl)-4-(2,4-difluorophenyl)-3-methoxypentanoyl]azanide.

Molecular Properties

Compound Nameoxidanium;potassium;[(3R)-5-(4-chloro-2-methylphenyl)-4-(2,4-difluorophenyl)-3-methoxypentanoyl]azanide
PubChem CID140752974
Molecular FormulaC19H22ClF2KNO3+
Molecular Weight424.94 g/mol
Exact Mass424.09
IUPAC Nameoxidanium;potassium;[(3R)-5-(4-chloro-2-methylphenyl)-4-(2,4-difluorophenyl)-3-methoxypentanoyl]azanide
SMILESCO[C@H](CC([NH-])=O)C(Cc1ccc(Cl)cc1C)c1ccc(F)cc1F.[K+].[OH3+]
InChIInChI=1S/C19H20ClF2NO2.K.H2O/c1-11-7-13(20)4-3-12(11)8-16(18(25-2)10-19(23)24)15-6-5-14(21)9-17(15)22;;/h3-7,9,16,18H,8,10H2,1-2H3,(H2,23,24);;1H2/q;+1;/t16?,18-;;/m1../s1
InChIKeyQSJCBJDVBJGTFQ-UNNXDVLSSA-N
XLogP1.32
TPSA83.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.94
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze oxidanium;potassium;[(3R)-5-(4-chloro-2-methylphenyl)-4-(2,4-difluorophenyl)-3-methoxypentanoyl]azanide with MolForge

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Related Compounds

(3R,4R)-4-(4-bromo-2-fluorophenyl)-5-(4-chloro-2-methylphenyl)-N-hydroxy-3-methoxypentanamide
CID 122623366
methyl 3-(4-chloro-2-fluorophenyl)butanoate
CID 171372756
methyl 4-amino-3-(2,4-difluorophenyl)pentanoate
CID 66096858
5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide
CID 145170995
1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105050988
3-(3-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)butan-2-ol
CID 105131249
(4-chloro-2-methylphenyl)-(2,4-difluorophenyl)methanamine
CID 114027936
1-(2,4-difluorophenyl)-2-methoxypentan-1-ol
CID 116711662
3-amino-4-(4-chloro-2-methylphenyl)butan-2-one
CID 83639669
N-(4-chloro-2-methylphenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9370342
methyl 4-(2,4-difluorophenyl)-3,4-dihydroxybutanoate
CID 171895163
ethyl 2-chloro-2-(2,4-difluorophenyl)acetate
CID 62224736

Frequently Asked Questions

What is the IUPAC name of oxidanium;potassium;[(3R)-5-(4-chloro-2-methylphenyl)-4-(2,4-difluorophenyl)-3-methoxypentanoyl]azanide?
The IUPAC name of oxidanium;potassium;[(3R)-5-(4-chloro-2-methylphenyl)-4-(2,4-difluorophenyl)-3-methoxypentanoyl]azanide (CID 140752974) is oxidanium;potassium;[(3R)-5-(4-chloro-2-methylphenyl)-4-(2,4-difluorophenyl)-3-methoxypentanoyl]azanide.
What is the SMILES notation for oxidanium;potassium;[(3R)-5-(4-chloro-2-methylphenyl)-4-(2,4-difluorophenyl)-3-methoxypentanoyl]azanide?
The canonical SMILES for oxidanium;potassium;[(3R)-5-(4-chloro-2-methylphenyl)-4-(2,4-difluorophenyl)-3-methoxypentanoyl]azanide is CO[C@H](CC([NH-])=O)C(Cc1ccc(Cl)cc1C)c1ccc(F)cc1F.[K+].[OH3+].
What is the InChIKey of oxidanium;potassium;[(3R)-5-(4-chloro-2-methylphenyl)-4-(2,4-difluorophenyl)-3-methoxypentanoyl]azanide?
The InChIKey is QSJCBJDVBJGTFQ-UNNXDVLSSA-N. The full InChI is InChI=1S/C19H20ClF2NO2.K.H2O/c1-11-7-13(20)4-3-12(11)8-16(18(25-2)10-19(23)24)15-6-5-14(21)9-17(15)22;;/h3-7,9,16,18H,8,10H2,1-2H3,(H2,23,24);;1H2/q;+1;/t16?,18-;;/m1../s1.
What are the key properties of oxidanium;potassium;[(3R)-5-(4-chloro-2-methylphenyl)-4-(2,4-difluorophenyl)-3-methoxypentanoyl]azanide?
oxidanium;potassium;[(3R)-5-(4-chloro-2-methylphenyl)-4-(2,4-difluorophenyl)-3-methoxypentanoyl]azanide has a molecular weight of 424.94 g/mol, XLogP of 1.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxidanium;potassium;[(3R)-5-(4-chloro-2-methylphenyl)-4-(2,4-difluorophenyl)-3-methoxypentanoyl]azanide is sourced from PubChem (CID 140752974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).