potassium;4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-amine;2-[(2-chloro-5-fluorophenyl)methoxy]-6-fluorobenzonitrile;deuterio(fluoro)methane;N-hydroxyacetamide;2-methylpropan-2-olate

C35H35Cl2F4KN4O6 — CID 161000669

IUPACpotassium;4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-amine;2-[(2-chloro-5-fluorophenyl)methoxy]-6-fluorobenzonitrile;deuterio(fluoro)methane;N-hydroxyacetamide;2-methylpropan-2-olate
SMILESCC(=O)NO.CC(C)(C)[O-].N#Cc1c(F)cccc1OCc1cc(F)ccc1Cl.Nc1noc2cccc(OCc3cc(F)ccc3Cl)c12.[2H]CF.[K+]
InChIInChI=1S/C14H8ClF2NO.C14H10ClFN2O2.C4H9O.C2H5NO2.CH3F.K/c15-12-5-4-10(16)6-9(12)8-19-14-3-1-2-13(17)11(14)7-18;15-10-5-4-9(16)6-8(10)7-19-11-2-1-3-12-13(11)14(17)18-20-12;1-4(2,3)5;1-2(4)3-5;1-2;/h1-6H,8H2;1-6H,7H2,(H2,17,18);1-3H3;5H,1H3,(H,3,4);1H3;/q;;-1;;;+1/i;;;;1D;
InChIKeyTVVFZMZZQCZPBV-YGJXFZMTSA-N
MW794.69 g/mol
LogP5.10
Rot. Bonds6

About potassium;4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-amine;2-[(2-chloro-5-fluorophenyl)methoxy]-6-fluorobenzonitrile;deuterio(fluoro)methane;N-hydroxyacetamide;2-methylpropan-2-olate

potassium;4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-amine;2-[(2-chloro-5-fluorophenyl)methoxy]-6-fluorobenzonitrile;deuterio(fluoro)methane;N-hydroxyacetamide;2-methylpropan-2-olate (PubChem CID 161000669) has the molecular formula C35H35Cl2F4KN4O6 and a molecular weight of 794.69 g/mol. Its IUPAC name is potassium;4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-amine;2-[(2-chloro-5-fluorophenyl)methoxy]-6-fluorobenzonitrile;deuterio(fluoro)methane;N-hydroxyacetamide;2-methylpropan-2-olate.

Molecular Properties

Compound Namepotassium;4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-amine;2-[(2-chloro-5-fluorophenyl)methoxy]-6-fluorobenzonitrile;deuterio(fluoro)methane;N-hydroxyacetamide;2-methylpropan-2-olate
PubChem CID161000669
Molecular FormulaC35H35Cl2F4KN4O6
Molecular Weight794.69 g/mol
Exact Mass793.16
IUPAC Namepotassium;4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-amine;2-[(2-chloro-5-fluorophenyl)methoxy]-6-fluorobenzonitrile;deuterio(fluoro)methane;N-hydroxyacetamide;2-methylpropan-2-olate
SMILESCC(=O)NO.CC(C)(C)[O-].N#Cc1c(F)cccc1OCc1cc(F)ccc1Cl.Nc1noc2cccc(OCc3cc(F)ccc3Cl)c12.[2H]CF.[K+]
InChIInChI=1S/C14H8ClF2NO.C14H10ClFN2O2.C4H9O.C2H5NO2.CH3F.K/c15-12-5-4-10(16)6-9(12)8-19-14-3-1-2-13(17)11(14)7-18;15-10-5-4-9(16)6-8(10)7-19-11-2-1-3-12-13(11)14(17)18-20-12;1-4(2,3)5;1-2(4)3-5;1-2;/h1-6H,8H2;1-6H,7H2,(H2,17,18);1-3H3;5H,1H3,(H,3,4);1H3;/q;;-1;;;+1/i;;;;1D;
InChIKeyTVVFZMZZQCZPBV-YGJXFZMTSA-N
XLogP5.10
TPSA166.69 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.69
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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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Frequently Asked Questions

What is the IUPAC name of potassium;4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-amine;2-[(2-chloro-5-fluorophenyl)methoxy]-6-fluorobenzonitrile;deuterio(fluoro)methane;N-hydroxyacetamide;2-methylpropan-2-olate?
The IUPAC name of potassium;4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-amine;2-[(2-chloro-5-fluorophenyl)methoxy]-6-fluorobenzonitrile;deuterio(fluoro)methane;N-hydroxyacetamide;2-methylpropan-2-olate (CID 161000669) is potassium;4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-amine;2-[(2-chloro-5-fluorophenyl)methoxy]-6-fluorobenzonitrile;deuterio(fluoro)methane;N-hydroxyacetamide;2-methylpropan-2-olate.
What is the SMILES notation for potassium;4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-amine;2-[(2-chloro-5-fluorophenyl)methoxy]-6-fluorobenzonitrile;deuterio(fluoro)methane;N-hydroxyacetamide;2-methylpropan-2-olate?
The canonical SMILES for potassium;4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-amine;2-[(2-chloro-5-fluorophenyl)methoxy]-6-fluorobenzonitrile;deuterio(fluoro)methane;N-hydroxyacetamide;2-methylpropan-2-olate is CC(=O)NO.CC(C)(C)[O-].N#Cc1c(F)cccc1OCc1cc(F)ccc1Cl.Nc1noc2cccc(OCc3cc(F)ccc3Cl)c12.[2H]CF.[K+].
What is the InChIKey of potassium;4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-amine;2-[(2-chloro-5-fluorophenyl)methoxy]-6-fluorobenzonitrile;deuterio(fluoro)methane;N-hydroxyacetamide;2-methylpropan-2-olate?
The InChIKey is TVVFZMZZQCZPBV-YGJXFZMTSA-N. The full InChI is InChI=1S/C14H8ClF2NO.C14H10ClFN2O2.C4H9O.C2H5NO2.CH3F.K/c15-12-5-4-10(16)6-9(12)8-19-14-3-1-2-13(17)11(14)7-18;15-10-5-4-9(16)6-8(10)7-19-11-2-1-3-12-13(11)14(17)18-20-12;1-4(2,3)5;1-2(4)3-5;1-2;/h1-6H,8H2;1-6H,7H2,(H2,17,18);1-3H3;5H,1H3,(H,3,4);1H3;/q;;-1;;;+1/i;;;;1D;.
What are the key properties of potassium;4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-amine;2-[(2-chloro-5-fluorophenyl)methoxy]-6-fluorobenzonitrile;deuterio(fluoro)methane;N-hydroxyacetamide;2-methylpropan-2-olate?
potassium;4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-amine;2-[(2-chloro-5-fluorophenyl)methoxy]-6-fluorobenzonitrile;deuterio(fluoro)methane;N-hydroxyacetamide;2-methylpropan-2-olate has a molecular weight of 794.69 g/mol, XLogP of 5.10, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-amine;2-[(2-chloro-5-fluorophenyl)methoxy]-6-fluorobenzonitrile;deuterio(fluoro)methane;N-hydroxyacetamide;2-methylpropan-2-olate is sourced from PubChem (CID 161000669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).