sodium 3-[2-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]cyclopenten-1-yl]-5-fluorobenzoate

C24H16Cl2F2NNaO3 — CID 68941197

IUPACsodium 3-[2-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]cyclopenten-1-yl]-5-fluorobenzoate
SMILESO=C([O-])c1cc(F)cc(C2=C(c3cc(Cl)cnc3OCc3ccc(Cl)cc3F)CCC2)c1.[Na+]
InChIInChI=1S/C24H17Cl2F2NO3.Na/c25-16-5-4-13(22(28)10-16)12-32-23-21(9-17(26)11-29-23)20-3-1-2-19(20)14-6-15(24(30)31)8-18(27)7-14;/h4-11H,1-3,12H2,(H,30,31);/q;+1/p-1
InChIKeyRASARMXGXWCWRB-UHFFFAOYSA-M
MW498.29 g/mol
LogP2.71
Rot. Bonds6

About sodium 3-[2-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]cyclopenten-1-yl]-5-fluorobenzoate

sodium 3-[2-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]cyclopenten-1-yl]-5-fluorobenzoate (PubChem CID 68941197) has the molecular formula C24H16Cl2F2NNaO3 and a molecular weight of 498.29 g/mol. Its IUPAC name is sodium 3-[2-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]cyclopenten-1-yl]-5-fluorobenzoate.

Molecular Properties

Compound Namesodium 3-[2-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]cyclopenten-1-yl]-5-fluorobenzoate
PubChem CID68941197
Molecular FormulaC24H16Cl2F2NNaO3
Molecular Weight498.29 g/mol
Exact Mass497.04
IUPAC Namesodium 3-[2-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]cyclopenten-1-yl]-5-fluorobenzoate
SMILESO=C([O-])c1cc(F)cc(C2=C(c3cc(Cl)cnc3OCc3ccc(Cl)cc3F)CCC2)c1.[Na+]
InChIInChI=1S/C24H17Cl2F2NO3.Na/c25-16-5-4-13(22(28)10-16)12-32-23-21(9-17(26)11-29-23)20-3-1-2-19(20)14-6-15(24(30)31)8-18(27)7-14;/h4-11H,1-3,12H2,(H,30,31);/q;+1/p-1
InChIKeyRASARMXGXWCWRB-UHFFFAOYSA-M
XLogP2.71
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.29
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze sodium 3-[2-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]cyclopenten-1-yl]-5-fluorobenzoate with MolForge

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Launch Full Analysis

Related Compounds

sodium;3-[2-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]cyclopenten-1-yl]-5-fluorobenzoic acid;hydride
CID 173123588
5-[2-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid
CID 10217107
5-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid
CID 10310352
ethyl 5-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylate
CID 58887622
methyl 3-amino-5-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]benzoate
CID 91332984
amino 3-fluoro-5-[2-[5-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methoxy]-3-pyridinyl]cyclopenten-1-yl]benzoate
CID 163487252
4-chloro-1-ethyl-2-methylbenzene;5-[2-[3-(1-ethoxyethenyl)-5-fluorophenyl]cyclopenten-1-yl]-6-methylpyridin-3-ol
CID 143033987
sodium 5-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]pyridine-3-carboxylate
CID 23686962
5-[2-[2-chloro-5-[(2,4-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]-2-ethylpyridine-3-carboxylic acid
CID 11488228
3-acetamido-5-[2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]cyclopenten-1-yl]benzoic acid
CID 21112841
6-[2-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid
CID 21112867
sodium 6-[[2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
CID 68838059

Frequently Asked Questions

What is the IUPAC name of sodium 3-[2-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]cyclopenten-1-yl]-5-fluorobenzoate?
The IUPAC name of sodium 3-[2-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]cyclopenten-1-yl]-5-fluorobenzoate (CID 68941197) is sodium 3-[2-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]cyclopenten-1-yl]-5-fluorobenzoate.
What is the SMILES notation for sodium 3-[2-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]cyclopenten-1-yl]-5-fluorobenzoate?
The canonical SMILES for sodium 3-[2-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]cyclopenten-1-yl]-5-fluorobenzoate is O=C([O-])c1cc(F)cc(C2=C(c3cc(Cl)cnc3OCc3ccc(Cl)cc3F)CCC2)c1.[Na+].
What is the InChIKey of sodium 3-[2-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]cyclopenten-1-yl]-5-fluorobenzoate?
The InChIKey is RASARMXGXWCWRB-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H17Cl2F2NO3.Na/c25-16-5-4-13(22(28)10-16)12-32-23-21(9-17(26)11-29-23)20-3-1-2-19(20)14-6-15(24(30)31)8-18(27)7-14;/h4-11H,1-3,12H2,(H,30,31);/q;+1/p-1.
What are the key properties of sodium 3-[2-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]cyclopenten-1-yl]-5-fluorobenzoate?
sodium 3-[2-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]cyclopenten-1-yl]-5-fluorobenzoate has a molecular weight of 498.29 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-[2-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]cyclopenten-1-yl]-5-fluorobenzoate is sourced from PubChem (CID 68941197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).