dipotassium;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide;carbonate

C30H20Cl2FK2N3O6 — CID 157152632

IUPACdipotassium;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide;carbonate
SMILESO=C(Nc1c(Cl)cncc1Cl)C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccccc3)cc12.O=C([O-])[O-].[K+].[K+]
InChIInChI=1S/C29H20Cl2FN3O3.CH2O3.2K/c30-24-13-33-14-25(31)27(24)34-29(37)28(36)23-16-35(15-18-6-8-20(32)9-7-18)26-11-10-21(12-22(23)26)38-17-19-4-2-1-3-5-19;2-1(3)4;;/h1-14,16H,15,17H2,(H,33,34,37);(H2,2,3,4);;/q;;2*+1/p-2
InChIKeyVWIDXVJEXCMKQE-UHFFFAOYSA-L
MW686.61 g/mol
LogP-1.51
Rot. Bonds8

About dipotassium;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide;carbonate

dipotassium;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide;carbonate (PubChem CID 157152632) has the molecular formula C30H20Cl2FK2N3O6 and a molecular weight of 686.61 g/mol. Its IUPAC name is dipotassium;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide;carbonate.

Molecular Properties

Compound Namedipotassium;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide;carbonate
PubChem CID157152632
Molecular FormulaC30H20Cl2FK2N3O6
Molecular Weight686.61 g/mol
Exact Mass685.00
IUPAC Namedipotassium;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide;carbonate
SMILESO=C(Nc1c(Cl)cncc1Cl)C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccccc3)cc12.O=C([O-])[O-].[K+].[K+]
InChIInChI=1S/C29H20Cl2FN3O3.CH2O3.2K/c30-24-13-33-14-25(31)27(24)34-29(37)28(36)23-16-35(15-18-6-8-20(32)9-7-18)26-11-10-21(12-22(23)26)38-17-19-4-2-1-3-5-19;2-1(3)4;;/h1-14,16H,15,17H2,(H,33,34,37);(H2,2,3,4);;/q;;2*+1/p-2
InChIKeyVWIDXVJEXCMKQE-UHFFFAOYSA-L
XLogP-1.51
TPSA136.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500686.61
LogP ≤ 5-1.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide
CID 110167937
[3-[2-[(3,5-dichloro-4-pyridinyl)amino]-2-oxoacetyl]-1-[(4-fluorophenyl)methyl]indol-5-yl] acetate
CID 15429129
1-(3-chloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]ethane-1,2-dione
CID 110169325
N-(2,6-dichlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide
CID 110167918
2-[1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-N-(3,5-dichloro-4-pyridinyl)-2-oxoacetamide
CID 110167947
N-(3,5-dichloro-4-pyridinyl)-2-[(3,5-dichloro-4-pyridinyl)imino]-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]acetamide
CID 110169286
N-(3,5-dichloro-2-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide
CID 91341102
N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;bromide
CID 16739239
1-benzyl-5-phenylmethoxy-N-(1,3-thiazol-2-yl)indole-3-carboxamide
CID 59513975
N-(3,5-dichloro-4-pyridinyl)-5-hydroxy-1-[(4-methoxyphenyl)methyl]indole-3-carboxamide
CID 22660391
2-[1-benzyl-5-[3-[3-[(4-fluorophenyl)methoxy]phenoxy]propoxy]indol-3-yl]acetic acid
CID 122183561
2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]acetaldehyde
CID 174442513

Frequently Asked Questions

What is the IUPAC name of dipotassium;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide;carbonate?
The IUPAC name of dipotassium;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide;carbonate (CID 157152632) is dipotassium;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide;carbonate.
What is the SMILES notation for dipotassium;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide;carbonate?
The canonical SMILES for dipotassium;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide;carbonate is O=C(Nc1c(Cl)cncc1Cl)C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OCc3ccccc3)cc12.O=C([O-])[O-].[K+].[K+].
What is the InChIKey of dipotassium;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide;carbonate?
The InChIKey is VWIDXVJEXCMKQE-UHFFFAOYSA-L. The full InChI is InChI=1S/C29H20Cl2FN3O3.CH2O3.2K/c30-24-13-33-14-25(31)27(24)34-29(37)28(36)23-16-35(15-18-6-8-20(32)9-7-18)26-11-10-21(12-22(23)26)38-17-19-4-2-1-3-5-19;2-1(3)4;;/h1-14,16H,15,17H2,(H,33,34,37);(H2,2,3,4);;/q;;2*+1/p-2.
What are the key properties of dipotassium;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide;carbonate?
dipotassium;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide;carbonate has a molecular weight of 686.61 g/mol, XLogP of -1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxyindol-3-yl]-2-oxoacetamide;carbonate is sourced from PubChem (CID 157152632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).