(4-bromo-2-fluorophenyl)-(4-fluorophenyl)methanone;1-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-N-methylmethanimine;6-bromo-3-(4-fluorophenyl)-1H-isoindole;6-bromo-3-(4-fluorophenyl)-1-(oxan-2-yl)indazole;3,4-dihydro-2H-pyran

C64H50Br4F6N4O3 — CID 164982927

IUPAC(4-bromo-2-fluorophenyl)-(4-fluorophenyl)methanone;1-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-N-methylmethanimine;6-bromo-3-(4-fluorophenyl)-1H-isoindole;6-bromo-3-(4-fluorophenyl)-1-(oxan-2-yl)indazole;3,4-dihydro-2H-pyran
SMILESC/N=C(\c1ccc(F)cc1)c1ccc(Br)cc1F.C1=COCCC1.Fc1ccc(-c2nn(C3CCCCO3)c3cc(Br)ccc23)cc1.Fc1ccc(C2=NCc3cc(Br)ccc32)cc1.O=C(c1ccc(F)cc1)c1ccc(Br)cc1F
InChIInChI=1S/C18H16BrFN2O.C14H10BrF2N.C14H9BrFN.C13H7BrF2O.C5H8O/c19-13-6-9-15-16(11-13)22(17-3-1-2-10-23-17)21-18(15)12-4-7-14(20)8-5-12;1-18-14(9-2-5-11(16)6-3-9)12-7-4-10(15)8-13(12)17;15-11-3-6-13-10(7-11)8-17-14(13)9-1-4-12(16)5-2-9;14-9-3-6-11(12(16)7-9)13(17)8-1-4-10(15)5-2-8;1-2-4-6-5-3-1/h4-9,11,17H,1-3,10H2;2-8H,1H3;1-7H,8H2;1-7H;2,4H,1,3,5H2/b;18-14+;;;
InChIKeyFTDLHDRHDFILQE-KVYTXCCUSA-N
MW1356.73 g/mol
LogP18.71
Rot. Bonds7

About (4-bromo-2-fluorophenyl)-(4-fluorophenyl)methanone;1-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-N-methylmethanimine;6-bromo-3-(4-fluorophenyl)-1H-isoindole;6-bromo-3-(4-fluorophenyl)-1-(oxan-2-yl)indazole;3,4-dihydro-2H-pyran

(4-bromo-2-fluorophenyl)-(4-fluorophenyl)methanone;1-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-N-methylmethanimine;6-bromo-3-(4-fluorophenyl)-1H-isoindole;6-bromo-3-(4-fluorophenyl)-1-(oxan-2-yl)indazole;3,4-dihydro-2H-pyran (PubChem CID 164982927) has the molecular formula C64H50Br4F6N4O3 and a molecular weight of 1356.73 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-(4-fluorophenyl)methanone;1-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-N-methylmethanimine;6-bromo-3-(4-fluorophenyl)-1H-isoindole;6-bromo-3-(4-fluorophenyl)-1-(oxan-2-yl)indazole;3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-(4-fluorophenyl)methanone;1-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-N-methylmethanimine;6-bromo-3-(4-fluorophenyl)-1H-isoindole;6-bromo-3-(4-fluorophenyl)-1-(oxan-2-yl)indazole;3,4-dihydro-2H-pyran
PubChem CID164982927
Molecular FormulaC64H50Br4F6N4O3
Molecular Weight1356.73 g/mol
Exact Mass1352.05
IUPAC Name(4-bromo-2-fluorophenyl)-(4-fluorophenyl)methanone;1-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-N-methylmethanimine;6-bromo-3-(4-fluorophenyl)-1H-isoindole;6-bromo-3-(4-fluorophenyl)-1-(oxan-2-yl)indazole;3,4-dihydro-2H-pyran
SMILESC/N=C(\c1ccc(F)cc1)c1ccc(Br)cc1F.C1=COCCC1.Fc1ccc(-c2nn(C3CCCCO3)c3cc(Br)ccc23)cc1.Fc1ccc(C2=NCc3cc(Br)ccc32)cc1.O=C(c1ccc(F)cc1)c1ccc(Br)cc1F
InChIInChI=1S/C18H16BrFN2O.C14H10BrF2N.C14H9BrFN.C13H7BrF2O.C5H8O/c19-13-6-9-15-16(11-13)22(17-3-1-2-10-23-17)21-18(15)12-4-7-14(20)8-5-12;1-18-14(9-2-5-11(16)6-3-9)12-7-4-10(15)8-13(12)17;15-11-3-6-13-10(7-11)8-17-14(13)9-1-4-12(16)5-2-9;14-9-3-6-11(12(16)7-9)13(17)8-1-4-10(15)5-2-8;1-2-4-6-5-3-1/h4-9,11,17H,1-3,10H2;2-8H,1H3;1-7H,8H2;1-7H;2,4H,1,3,5H2/b;18-14+;;;
InChIKeyFTDLHDRHDFILQE-KVYTXCCUSA-N
XLogP18.71
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001356.73
LogP ≤ 518.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (4-bromo-2-fluorophenyl)-(4-fluorophenyl)methanone;1-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-N-methylmethanimine;6-bromo-3-(4-fluorophenyl)-1H-isoindole;6-bromo-3-(4-fluorophenyl)-1-(oxan-2-yl)indazole;3,4-dihydro-2H-pyran with MolForge

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Related Compounds

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methyl 6-[5,6-difluoro-1-(oxan-2-yl)indazol-3-yl]-2-methylpyridine-3-carboxylate
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5-bromo-3-fluoro-1-(oxan-2-yl)indazole;cis-(1R,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine;3-fluoro-5-iodo-1-(oxan-2-yl)indazole
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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-(4-fluorophenyl)methanone;1-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-N-methylmethanimine;6-bromo-3-(4-fluorophenyl)-1H-isoindole;6-bromo-3-(4-fluorophenyl)-1-(oxan-2-yl)indazole;3,4-dihydro-2H-pyran?
The IUPAC name of (4-bromo-2-fluorophenyl)-(4-fluorophenyl)methanone;1-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-N-methylmethanimine;6-bromo-3-(4-fluorophenyl)-1H-isoindole;6-bromo-3-(4-fluorophenyl)-1-(oxan-2-yl)indazole;3,4-dihydro-2H-pyran (CID 164982927) is (4-bromo-2-fluorophenyl)-(4-fluorophenyl)methanone;1-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-N-methylmethanimine;6-bromo-3-(4-fluorophenyl)-1H-isoindole;6-bromo-3-(4-fluorophenyl)-1-(oxan-2-yl)indazole;3,4-dihydro-2H-pyran.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-(4-fluorophenyl)methanone;1-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-N-methylmethanimine;6-bromo-3-(4-fluorophenyl)-1H-isoindole;6-bromo-3-(4-fluorophenyl)-1-(oxan-2-yl)indazole;3,4-dihydro-2H-pyran?
The canonical SMILES for (4-bromo-2-fluorophenyl)-(4-fluorophenyl)methanone;1-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-N-methylmethanimine;6-bromo-3-(4-fluorophenyl)-1H-isoindole;6-bromo-3-(4-fluorophenyl)-1-(oxan-2-yl)indazole;3,4-dihydro-2H-pyran is C/N=C(\c1ccc(F)cc1)c1ccc(Br)cc1F.C1=COCCC1.Fc1ccc(-c2nn(C3CCCCO3)c3cc(Br)ccc23)cc1.Fc1ccc(C2=NCc3cc(Br)ccc32)cc1.O=C(c1ccc(F)cc1)c1ccc(Br)cc1F.
What is the InChIKey of (4-bromo-2-fluorophenyl)-(4-fluorophenyl)methanone;1-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-N-methylmethanimine;6-bromo-3-(4-fluorophenyl)-1H-isoindole;6-bromo-3-(4-fluorophenyl)-1-(oxan-2-yl)indazole;3,4-dihydro-2H-pyran?
The InChIKey is FTDLHDRHDFILQE-KVYTXCCUSA-N. The full InChI is InChI=1S/C18H16BrFN2O.C14H10BrF2N.C14H9BrFN.C13H7BrF2O.C5H8O/c19-13-6-9-15-16(11-13)22(17-3-1-2-10-23-17)21-18(15)12-4-7-14(20)8-5-12;1-18-14(9-2-5-11(16)6-3-9)12-7-4-10(15)8-13(12)17;15-11-3-6-13-10(7-11)8-17-14(13)9-1-4-12(16)5-2-9;14-9-3-6-11(12(16)7-9)13(17)8-1-4-10(15)5-2-8;1-2-4-6-5-3-1/h4-9,11,17H,1-3,10H2;2-8H,1H3;1-7H,8H2;1-7H;2,4H,1,3,5H2/b;18-14+;;;.
What are the key properties of (4-bromo-2-fluorophenyl)-(4-fluorophenyl)methanone;1-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-N-methylmethanimine;6-bromo-3-(4-fluorophenyl)-1H-isoindole;6-bromo-3-(4-fluorophenyl)-1-(oxan-2-yl)indazole;3,4-dihydro-2H-pyran?
(4-bromo-2-fluorophenyl)-(4-fluorophenyl)methanone;1-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-N-methylmethanimine;6-bromo-3-(4-fluorophenyl)-1H-isoindole;6-bromo-3-(4-fluorophenyl)-1-(oxan-2-yl)indazole;3,4-dihydro-2H-pyran has a molecular weight of 1356.73 g/mol, XLogP of 18.71, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-(4-fluorophenyl)methanone;1-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-N-methylmethanimine;6-bromo-3-(4-fluorophenyl)-1H-isoindole;6-bromo-3-(4-fluorophenyl)-1-(oxan-2-yl)indazole;3,4-dihydro-2H-pyran is sourced from PubChem (CID 164982927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).