1-(2-amino-3,5-difluorophenyl)ethanone;1-(2-amino-3-fluoro-5-methylphenyl)ethanone;2-bromo-6-fluoro-4-methylaniline;5-(2-chloro-6,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;5-(2-chloro-8-fluoro-4,6-dimethylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;2,4-difluoro-6-iodoaniline;2-fluoro-4-methylaniline

C64H55BrCl2F10IN11O4 — CID 165071752

IUPAC1-(2-amino-3,5-difluorophenyl)ethanone;1-(2-amino-3-fluoro-5-methylphenyl)ethanone;2-bromo-6-fluoro-4-methylaniline;5-(2-chloro-6,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;5-(2-chloro-8-fluoro-4,6-dimethylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;2,4-difluoro-6-iodoaniline;2-fluoro-4-methylaniline
SMILESCC(=O)c1cc(C)cc(F)c1N.CC(=O)c1cc(F)cc(F)c1N.Cc1cc(F)c(N)c(Br)c1.Cc1cc(F)c2nc(Cl)c(-c3nc(C)no3)c(C)c2c1.Cc1ccc(N)c(F)c1.Cc1noc(-c2c(Cl)nc3c(F)cc(F)cc3c2C)n1.Nc1c(F)cc(F)cc1I
InChIInChI=1S/C14H11ClFN3O.C13H8ClF2N3O.C9H10FNO.C8H7F2NO.C7H7BrFN.C7H8FN.C6H4F2IN/c1-6-4-9-7(2)11(14-17-8(3)19-20-14)13(15)18-12(9)10(16)5-6;1-5-8-3-7(15)4-9(16)11(8)18-12(14)10(5)13-17-6(2)19-20-13;1-5-3-7(6(2)12)9(11)8(10)4-5;1-4(12)6-2-5(9)3-7(10)8(6)11;1-4-2-5(8)7(10)6(9)3-4;1-5-2-3-7(9)6(8)4-5;7-3-1-4(8)6(10)5(9)2-3/h4-5H,1-3H3;3-4H,1-2H3;3-4H,11H2,1-2H3;2-3H,11H2,1H3;2-3H,10H2,1H3;2-4H,9H2,1H3;1-2H,10H2
InChIKeySWOBHEXZDJXLGR-UHFFFAOYSA-N
MW1509.91 g/mol
LogP17.85
Rot. Bonds4

About 1-(2-amino-3,5-difluorophenyl)ethanone;1-(2-amino-3-fluoro-5-methylphenyl)ethanone;2-bromo-6-fluoro-4-methylaniline;5-(2-chloro-6,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;5-(2-chloro-8-fluoro-4,6-dimethylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;2,4-difluoro-6-iodoaniline;2-fluoro-4-methylaniline

1-(2-amino-3,5-difluorophenyl)ethanone;1-(2-amino-3-fluoro-5-methylphenyl)ethanone;2-bromo-6-fluoro-4-methylaniline;5-(2-chloro-6,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;5-(2-chloro-8-fluoro-4,6-dimethylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;2,4-difluoro-6-iodoaniline;2-fluoro-4-methylaniline (PubChem CID 165071752) has the molecular formula C64H55BrCl2F10IN11O4 and a molecular weight of 1509.91 g/mol. Its IUPAC name is 1-(2-amino-3,5-difluorophenyl)ethanone;1-(2-amino-3-fluoro-5-methylphenyl)ethanone;2-bromo-6-fluoro-4-methylaniline;5-(2-chloro-6,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;5-(2-chloro-8-fluoro-4,6-dimethylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;2,4-difluoro-6-iodoaniline;2-fluoro-4-methylaniline.

Molecular Properties

Compound Name1-(2-amino-3,5-difluorophenyl)ethanone;1-(2-amino-3-fluoro-5-methylphenyl)ethanone;2-bromo-6-fluoro-4-methylaniline;5-(2-chloro-6,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;5-(2-chloro-8-fluoro-4,6-dimethylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;2,4-difluoro-6-iodoaniline;2-fluoro-4-methylaniline
PubChem CID165071752
Molecular FormulaC64H55BrCl2F10IN11O4
Molecular Weight1509.91 g/mol
Exact Mass1507.19
IUPAC Name1-(2-amino-3,5-difluorophenyl)ethanone;1-(2-amino-3-fluoro-5-methylphenyl)ethanone;2-bromo-6-fluoro-4-methylaniline;5-(2-chloro-6,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;5-(2-chloro-8-fluoro-4,6-dimethylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;2,4-difluoro-6-iodoaniline;2-fluoro-4-methylaniline
SMILESCC(=O)c1cc(C)cc(F)c1N.CC(=O)c1cc(F)cc(F)c1N.Cc1cc(F)c(N)c(Br)c1.Cc1cc(F)c2nc(Cl)c(-c3nc(C)no3)c(C)c2c1.Cc1ccc(N)c(F)c1.Cc1noc(-c2c(Cl)nc3c(F)cc(F)cc3c2C)n1.Nc1c(F)cc(F)cc1I
InChIInChI=1S/C14H11ClFN3O.C13H8ClF2N3O.C9H10FNO.C8H7F2NO.C7H7BrFN.C7H8FN.C6H4F2IN/c1-6-4-9-7(2)11(14-17-8(3)19-20-14)13(15)18-12(9)10(16)5-6;1-5-8-3-7(15)4-9(16)11(8)18-12(14)10(5)13-17-6(2)19-20-13;1-5-3-7(6(2)12)9(11)8(10)4-5;1-4(12)6-2-5(9)3-7(10)8(6)11;1-4-2-5(8)7(10)6(9)3-4;1-5-2-3-7(9)6(8)4-5;7-3-1-4(8)6(10)5(9)2-3/h4-5H,1-3H3;3-4H,1-2H3;3-4H,11H2,1-2H3;2-3H,11H2,1H3;2-3H,10H2,1H3;2-4H,9H2,1H3;1-2H,10H2
InChIKeySWOBHEXZDJXLGR-UHFFFAOYSA-N
XLogP17.85
TPSA267.86 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds4
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001509.91
LogP ≤ 517.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-(2-amino-3,5-difluorophenyl)ethanone;1-(2-amino-3-fluoro-5-methylphenyl)ethanone;2-bromo-6-fluoro-4-methylaniline;5-(2-chloro-6,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;5-(2-chloro-8-fluoro-4,6-dimethylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;2,4-difluoro-6-iodoaniline;2-fluoro-4-methylaniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3,5-difluorophenyl)ethanone;1-(2-amino-3-fluoro-5-methylphenyl)ethanone;2-bromo-6-fluoro-4-methylaniline;5-(2-chloro-6,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;5-(2-chloro-8-fluoro-4,6-dimethylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;2,4-difluoro-6-iodoaniline;2-fluoro-4-methylaniline?
The IUPAC name of 1-(2-amino-3,5-difluorophenyl)ethanone;1-(2-amino-3-fluoro-5-methylphenyl)ethanone;2-bromo-6-fluoro-4-methylaniline;5-(2-chloro-6,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;5-(2-chloro-8-fluoro-4,6-dimethylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;2,4-difluoro-6-iodoaniline;2-fluoro-4-methylaniline (CID 165071752) is 1-(2-amino-3,5-difluorophenyl)ethanone;1-(2-amino-3-fluoro-5-methylphenyl)ethanone;2-bromo-6-fluoro-4-methylaniline;5-(2-chloro-6,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;5-(2-chloro-8-fluoro-4,6-dimethylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;2,4-difluoro-6-iodoaniline;2-fluoro-4-methylaniline.
What is the SMILES notation for 1-(2-amino-3,5-difluorophenyl)ethanone;1-(2-amino-3-fluoro-5-methylphenyl)ethanone;2-bromo-6-fluoro-4-methylaniline;5-(2-chloro-6,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;5-(2-chloro-8-fluoro-4,6-dimethylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;2,4-difluoro-6-iodoaniline;2-fluoro-4-methylaniline?
The canonical SMILES for 1-(2-amino-3,5-difluorophenyl)ethanone;1-(2-amino-3-fluoro-5-methylphenyl)ethanone;2-bromo-6-fluoro-4-methylaniline;5-(2-chloro-6,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;5-(2-chloro-8-fluoro-4,6-dimethylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;2,4-difluoro-6-iodoaniline;2-fluoro-4-methylaniline is CC(=O)c1cc(C)cc(F)c1N.CC(=O)c1cc(F)cc(F)c1N.Cc1cc(F)c(N)c(Br)c1.Cc1cc(F)c2nc(Cl)c(-c3nc(C)no3)c(C)c2c1.Cc1ccc(N)c(F)c1.Cc1noc(-c2c(Cl)nc3c(F)cc(F)cc3c2C)n1.Nc1c(F)cc(F)cc1I.
What is the InChIKey of 1-(2-amino-3,5-difluorophenyl)ethanone;1-(2-amino-3-fluoro-5-methylphenyl)ethanone;2-bromo-6-fluoro-4-methylaniline;5-(2-chloro-6,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;5-(2-chloro-8-fluoro-4,6-dimethylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;2,4-difluoro-6-iodoaniline;2-fluoro-4-methylaniline?
The InChIKey is SWOBHEXZDJXLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3O.C13H8ClF2N3O.C9H10FNO.C8H7F2NO.C7H7BrFN.C7H8FN.C6H4F2IN/c1-6-4-9-7(2)11(14-17-8(3)19-20-14)13(15)18-12(9)10(16)5-6;1-5-8-3-7(15)4-9(16)11(8)18-12(14)10(5)13-17-6(2)19-20-13;1-5-3-7(6(2)12)9(11)8(10)4-5;1-4(12)6-2-5(9)3-7(10)8(6)11;1-4-2-5(8)7(10)6(9)3-4;1-5-2-3-7(9)6(8)4-5;7-3-1-4(8)6(10)5(9)2-3/h4-5H,1-3H3;3-4H,1-2H3;3-4H,11H2,1-2H3;2-3H,11H2,1H3;2-3H,10H2,1H3;2-4H,9H2,1H3;1-2H,10H2.
What are the key properties of 1-(2-amino-3,5-difluorophenyl)ethanone;1-(2-amino-3-fluoro-5-methylphenyl)ethanone;2-bromo-6-fluoro-4-methylaniline;5-(2-chloro-6,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;5-(2-chloro-8-fluoro-4,6-dimethylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;2,4-difluoro-6-iodoaniline;2-fluoro-4-methylaniline?
1-(2-amino-3,5-difluorophenyl)ethanone;1-(2-amino-3-fluoro-5-methylphenyl)ethanone;2-bromo-6-fluoro-4-methylaniline;5-(2-chloro-6,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;5-(2-chloro-8-fluoro-4,6-dimethylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;2,4-difluoro-6-iodoaniline;2-fluoro-4-methylaniline has a molecular weight of 1509.91 g/mol, XLogP of 17.85, 4 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3,5-difluorophenyl)ethanone;1-(2-amino-3-fluoro-5-methylphenyl)ethanone;2-bromo-6-fluoro-4-methylaniline;5-(2-chloro-6,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;5-(2-chloro-8-fluoro-4,6-dimethylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;2,4-difluoro-6-iodoaniline;2-fluoro-4-methylaniline is sourced from PubChem (CID 165071752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).