1-(bromomethyl)-2-fluoro-4-nitrobenzene;tert-butyl N-[2-(4-amino-2-fluorophenyl)ethylsulfonyl]carbamate;tert-butyl N-[2-(2-fluoro-4-nitrophenyl)ethylsulfonyl]carbamate;tert-butyl N-[2-[2-fluoro-4-[2-oxo-4-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]butyl]phenyl]ethylsulfonyl]carbamate;2-fluoro-1-methyl-4-nitrobenzene;(2-fluoro-4-nitrophenyl)methanamine;2-[(2-fluoro-4-nitrophenyl)methyl]isoindole-1,3-dione;2-[2-fluoro-4-[2-oxo-4-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]butyl]phenyl]ethanesulfonamide;phenyl 2-[3-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]ethyl]phenyl]acetate;[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methanamine

C143H159BrF18N20O34S5 — CID 161316533

IUPAC1-(bromomethyl)-2-fluoro-4-nitrobenzene;tert-butyl N-[2-(4-amino-2-fluorophenyl)ethylsulfonyl]carbamate;tert-butyl N-[2-(2-fluoro-4-nitrophenyl)ethylsulfonyl]carbamate;tert-butyl N-[2-[2-fluoro-4-[2-oxo-4-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]butyl]phenyl]ethylsulfonyl]carbamate;2-fluoro-1-methyl-4-nitrobenzene;(2-fluoro-4-nitrophenyl)methanamine;2-[(2-fluoro-4-nitrophenyl)methyl]isoindole-1,3-dione;2-[2-fluoro-4-[2-oxo-4-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]butyl]phenyl]ethanesulfonamide;phenyl 2-[3-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]ethyl]phenyl]acetate;[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCC(C)(C)OC(=O)NS(=O)(=O)CCc1ccc(CC(=O)CCc2ccc(C(F)(F)F)nc2N2CCCC2)cc1F.CC(C)(C)OC(=O)NS(=O)(=O)CCc1ccc(CC(=O)Oc2ccccc2)cc1F.CC(C)(C)OC(=O)NS(=O)(=O)CCc1ccc(N)cc1F.CC(C)(C)OC(=O)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1F.Cc1ccc([N+](=O)[O-])cc1F.NCc1ccc(C(F)(F)F)nc1N1CCCC1.NCc1ccc([N+](=O)[O-])cc1F.NS(=O)(=O)CCc1ccc(CC(=O)CCc2ccc(C(F)(F)F)nc2N2CCCC2)cc1F.O=C1c2ccccc2C(=O)N1Cc1ccc([N+](=O)[O-])cc1F.O=[N+]([O-])c1ccc(CBr)c(F)c1
InChIInChI=1S/C27H33F4N3O5S.C22H25F4N3O3S.C21H24FNO6S.C15H9FN2O4.C13H17FN2O6S.C13H19FN2O4S.C11H14F3N3.C7H5BrFNO2.C7H7FN2O2.C7H6FNO2/c1-26(2,3)39-25(36)33-40(37,38)15-12-19-7-6-18(17-22(19)28)16-21(35)10-8-20-9-11-23(27(29,30)31)32-24(20)34-13-4-5-14-34;23-19-14-15(3-4-16(19)9-12-33(27,31)32)13-18(30)7-5-17-6-8-20(22(24,25)26)28-21(17)29-10-1-2-11-29;1-21(2,3)29-20(25)23-30(26,27)12-11-16-10-9-15(13-18(16)22)14-19(24)28-17-7-5-4-6-8-17;16-13-7-10(18(21)22)6-5-9(13)8-17-14(19)11-3-1-2-4-12(11)15(17)20;1-13(2,3)22-12(17)15-23(20,21)7-6-9-4-5-10(16(18)19)8-11(9)14;1-13(2,3)20-12(17)16-21(18,19)7-6-9-4-5-10(15)8-11(9)14;12-11(13,14)9-4-3-8(7-15)10(16-9)17-5-1-2-6-17;8-4-5-1-2-6(10(11)12)3-7(5)9;8-7-3-6(10(11)12)2-1-5(7)4-9;1-5-2-3-6(9(10)11)4-7(5)8/h6-7,9,11,17H,4-5,8,10,12-16H2,1-3H3,(H,33,36);3-4,6,8,14H,1-2,5,7,9-13H2,(H2,27,31,32);4-10,13H,11-12,14H2,1-3H3,(H,23,25);1-7H,8H2;4-5,8H,6-7H2,1-3H3,(H,15,17);4-5,8H,6-7,15H2,1-3H3,(H,16,17);3-4H,1-2,5-7,15H2;1-3H,4H2;1-3H,4,9H2;2-4H,1H3
InChIKeyVJOLMDPGYVMCAG-UHFFFAOYSA-N
MW3284.15 g/mol
LogP26.26
Rot. Bonds45

About 1-(bromomethyl)-2-fluoro-4-nitrobenzene;tert-butyl N-[2-(4-amino-2-fluorophenyl)ethylsulfonyl]carbamate;tert-butyl N-[2-(2-fluoro-4-nitrophenyl)ethylsulfonyl]carbamate;tert-butyl N-[2-[2-fluoro-4-[2-oxo-4-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]butyl]phenyl]ethylsulfonyl]carbamate;2-fluoro-1-methyl-4-nitrobenzene;(2-fluoro-4-nitrophenyl)methanamine;2-[(2-fluoro-4-nitrophenyl)methyl]isoindole-1,3-dione;2-[2-fluoro-4-[2-oxo-4-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]butyl]phenyl]ethanesulfonamide;phenyl 2-[3-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]ethyl]phenyl]acetate;[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methanamine

1-(bromomethyl)-2-fluoro-4-nitrobenzene;tert-butyl N-[2-(4-amino-2-fluorophenyl)ethylsulfonyl]carbamate;tert-butyl N-[2-(2-fluoro-4-nitrophenyl)ethylsulfonyl]carbamate;tert-butyl N-[2-[2-fluoro-4-[2-oxo-4-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]butyl]phenyl]ethylsulfonyl]carbamate;2-fluoro-1-methyl-4-nitrobenzene;(2-fluoro-4-nitrophenyl)methanamine;2-[(2-fluoro-4-nitrophenyl)methyl]isoindole-1,3-dione;2-[2-fluoro-4-[2-oxo-4-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]butyl]phenyl]ethanesulfonamide;phenyl 2-[3-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]ethyl]phenyl]acetate;[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 161316533) has the molecular formula C143H159BrF18N20O34S5 and a molecular weight of 3284.15 g/mol. Its IUPAC name is 1-(bromomethyl)-2-fluoro-4-nitrobenzene;tert-butyl N-[2-(4-amino-2-fluorophenyl)ethylsulfonyl]carbamate;tert-butyl N-[2-(2-fluoro-4-nitrophenyl)ethylsulfonyl]carbamate;tert-butyl N-[2-[2-fluoro-4-[2-oxo-4-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]butyl]phenyl]ethylsulfonyl]carbamate;2-fluoro-1-methyl-4-nitrobenzene;(2-fluoro-4-nitrophenyl)methanamine;2-[(2-fluoro-4-nitrophenyl)methyl]isoindole-1,3-dione;2-[2-fluoro-4-[2-oxo-4-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]butyl]phenyl]ethanesulfonamide;phenyl 2-[3-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]ethyl]phenyl]acetate;[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name1-(bromomethyl)-2-fluoro-4-nitrobenzene;tert-butyl N-[2-(4-amino-2-fluorophenyl)ethylsulfonyl]carbamate;tert-butyl N-[2-(2-fluoro-4-nitrophenyl)ethylsulfonyl]carbamate;tert-butyl N-[2-[2-fluoro-4-[2-oxo-4-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]butyl]phenyl]ethylsulfonyl]carbamate;2-fluoro-1-methyl-4-nitrobenzene;(2-fluoro-4-nitrophenyl)methanamine;2-[(2-fluoro-4-nitrophenyl)methyl]isoindole-1,3-dione;2-[2-fluoro-4-[2-oxo-4-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]butyl]phenyl]ethanesulfonamide;phenyl 2-[3-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]ethyl]phenyl]acetate;[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID161316533
Molecular FormulaC143H159BrF18N20O34S5
Molecular Weight3284.15 g/mol
Exact Mass3280.88
IUPAC Name1-(bromomethyl)-2-fluoro-4-nitrobenzene;tert-butyl N-[2-(4-amino-2-fluorophenyl)ethylsulfonyl]carbamate;tert-butyl N-[2-(2-fluoro-4-nitrophenyl)ethylsulfonyl]carbamate;tert-butyl N-[2-[2-fluoro-4-[2-oxo-4-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]butyl]phenyl]ethylsulfonyl]carbamate;2-fluoro-1-methyl-4-nitrobenzene;(2-fluoro-4-nitrophenyl)methanamine;2-[(2-fluoro-4-nitrophenyl)methyl]isoindole-1,3-dione;2-[2-fluoro-4-[2-oxo-4-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]butyl]phenyl]ethanesulfonamide;phenyl 2-[3-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]ethyl]phenyl]acetate;[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCC(C)(C)OC(=O)NS(=O)(=O)CCc1ccc(CC(=O)CCc2ccc(C(F)(F)F)nc2N2CCCC2)cc1F.CC(C)(C)OC(=O)NS(=O)(=O)CCc1ccc(CC(=O)Oc2ccccc2)cc1F.CC(C)(C)OC(=O)NS(=O)(=O)CCc1ccc(N)cc1F.CC(C)(C)OC(=O)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1F.Cc1ccc([N+](=O)[O-])cc1F.NCc1ccc(C(F)(F)F)nc1N1CCCC1.NCc1ccc([N+](=O)[O-])cc1F.NS(=O)(=O)CCc1ccc(CC(=O)CCc2ccc(C(F)(F)F)nc2N2CCCC2)cc1F.O=C1c2ccccc2C(=O)N1Cc1ccc([N+](=O)[O-])cc1F.O=[N+]([O-])c1ccc(CBr)c(F)c1
InChIInChI=1S/C27H33F4N3O5S.C22H25F4N3O3S.C21H24FNO6S.C15H9FN2O4.C13H17FN2O6S.C13H19FN2O4S.C11H14F3N3.C7H5BrFNO2.C7H7FN2O2.C7H6FNO2/c1-26(2,3)39-25(36)33-40(37,38)15-12-19-7-6-18(17-22(19)28)16-21(35)10-8-20-9-11-23(27(29,30)31)32-24(20)34-13-4-5-14-34;23-19-14-15(3-4-16(19)9-12-33(27,31)32)13-18(30)7-5-17-6-8-20(22(24,25)26)28-21(17)29-10-1-2-11-29;1-21(2,3)29-20(25)23-30(26,27)12-11-16-10-9-15(13-18(16)22)14-19(24)28-17-7-5-4-6-8-17;16-13-7-10(18(21)22)6-5-9(13)8-17-14(19)11-3-1-2-4-12(11)15(17)20;1-13(2,3)22-12(17)15-23(20,21)7-6-9-4-5-10(16(18)19)8-11(9)14;1-13(2,3)20-12(17)16-21(18,19)7-6-9-4-5-10(15)8-11(9)14;12-11(13,14)9-4-3-8(7-15)10(16-9)17-5-1-2-6-17;8-4-5-1-2-6(10(11)12)3-7(5)9;8-7-3-6(10(11)12)2-1-5(7)4-9;1-5-2-3-6(9(10)11)4-7(5)8/h6-7,9,11,17H,4-5,8,10,12-16H2,1-3H3,(H,33,36);3-4,6,8,14H,1-2,5,7,9-13H2,(H2,27,31,32);4-10,13H,11-12,14H2,1-3H3,(H,23,25);1-7H,8H2;4-5,8H,6-7H2,1-3H3,(H,15,17);4-5,8H,6-7,15H2,1-3H3,(H,16,17);3-4H,1-2,5-7,15H2;1-3H,4H2;1-3H,4,9H2;2-4H,1H3
InChIKeyVJOLMDPGYVMCAG-UHFFFAOYSA-N
XLogP26.26
TPSA790.01 Ų
H-Bond Donors8
H-Bond Acceptors43
Rotatable Bonds45
Heavy Atoms221
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003284.15
LogP ≤ 526.26
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(bromomethyl)-2-fluoro-4-nitrobenzene;tert-butyl N-[2-(4-amino-2-fluorophenyl)ethylsulfonyl]carbamate;tert-butyl N-[2-(2-fluoro-4-nitrophenyl)ethylsulfonyl]carbamate;tert-butyl N-[2-[2-fluoro-4-[2-oxo-4-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]butyl]phenyl]ethylsulfonyl]carbamate;2-fluoro-1-methyl-4-nitrobenzene;(2-fluoro-4-nitrophenyl)methanamine;2-[(2-fluoro-4-nitrophenyl)methyl]isoindole-1,3-dione;2-[2-fluoro-4-[2-oxo-4-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]butyl]phenyl]ethanesulfonamide;phenyl 2-[3-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]ethyl]phenyl]acetate;[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2-fluoro-4-nitrobenzene;tert-butyl N-[2-(4-amino-2-fluorophenyl)ethylsulfonyl]carbamate;tert-butyl N-[2-(2-fluoro-4-nitrophenyl)ethylsulfonyl]carbamate;tert-butyl N-[2-[2-fluoro-4-[2-oxo-4-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]butyl]phenyl]ethylsulfonyl]carbamate;2-fluoro-1-methyl-4-nitrobenzene;(2-fluoro-4-nitrophenyl)methanamine;2-[(2-fluoro-4-nitrophenyl)methyl]isoindole-1,3-dione;2-[2-fluoro-4-[2-oxo-4-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]butyl]phenyl]ethanesulfonamide;phenyl 2-[3-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]ethyl]phenyl]acetate;[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of 1-(bromomethyl)-2-fluoro-4-nitrobenzene;tert-butyl N-[2-(4-amino-2-fluorophenyl)ethylsulfonyl]carbamate;tert-butyl N-[2-(2-fluoro-4-nitrophenyl)ethylsulfonyl]carbamate;tert-butyl N-[2-[2-fluoro-4-[2-oxo-4-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]butyl]phenyl]ethylsulfonyl]carbamate;2-fluoro-1-methyl-4-nitrobenzene;(2-fluoro-4-nitrophenyl)methanamine;2-[(2-fluoro-4-nitrophenyl)methyl]isoindole-1,3-dione;2-[2-fluoro-4-[2-oxo-4-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]butyl]phenyl]ethanesulfonamide;phenyl 2-[3-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]ethyl]phenyl]acetate;[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methanamine (CID 161316533) is 1-(bromomethyl)-2-fluoro-4-nitrobenzene;tert-butyl N-[2-(4-amino-2-fluorophenyl)ethylsulfonyl]carbamate;tert-butyl N-[2-(2-fluoro-4-nitrophenyl)ethylsulfonyl]carbamate;tert-butyl N-[2-[2-fluoro-4-[2-oxo-4-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]butyl]phenyl]ethylsulfonyl]carbamate;2-fluoro-1-methyl-4-nitrobenzene;(2-fluoro-4-nitrophenyl)methanamine;2-[(2-fluoro-4-nitrophenyl)methyl]isoindole-1,3-dione;2-[2-fluoro-4-[2-oxo-4-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]butyl]phenyl]ethanesulfonamide;phenyl 2-[3-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]ethyl]phenyl]acetate;[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for 1-(bromomethyl)-2-fluoro-4-nitrobenzene;tert-butyl N-[2-(4-amino-2-fluorophenyl)ethylsulfonyl]carbamate;tert-butyl N-[2-(2-fluoro-4-nitrophenyl)ethylsulfonyl]carbamate;tert-butyl N-[2-[2-fluoro-4-[2-oxo-4-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]butyl]phenyl]ethylsulfonyl]carbamate;2-fluoro-1-methyl-4-nitrobenzene;(2-fluoro-4-nitrophenyl)methanamine;2-[(2-fluoro-4-nitrophenyl)methyl]isoindole-1,3-dione;2-[2-fluoro-4-[2-oxo-4-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]butyl]phenyl]ethanesulfonamide;phenyl 2-[3-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]ethyl]phenyl]acetate;[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for 1-(bromomethyl)-2-fluoro-4-nitrobenzene;tert-butyl N-[2-(4-amino-2-fluorophenyl)ethylsulfonyl]carbamate;tert-butyl N-[2-(2-fluoro-4-nitrophenyl)ethylsulfonyl]carbamate;tert-butyl N-[2-[2-fluoro-4-[2-oxo-4-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]butyl]phenyl]ethylsulfonyl]carbamate;2-fluoro-1-methyl-4-nitrobenzene;(2-fluoro-4-nitrophenyl)methanamine;2-[(2-fluoro-4-nitrophenyl)methyl]isoindole-1,3-dione;2-[2-fluoro-4-[2-oxo-4-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]butyl]phenyl]ethanesulfonamide;phenyl 2-[3-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]ethyl]phenyl]acetate;[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methanamine is CC(C)(C)OC(=O)NS(=O)(=O)CCc1ccc(CC(=O)CCc2ccc(C(F)(F)F)nc2N2CCCC2)cc1F.CC(C)(C)OC(=O)NS(=O)(=O)CCc1ccc(CC(=O)Oc2ccccc2)cc1F.CC(C)(C)OC(=O)NS(=O)(=O)CCc1ccc(N)cc1F.CC(C)(C)OC(=O)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1F.Cc1ccc([N+](=O)[O-])cc1F.NCc1ccc(C(F)(F)F)nc1N1CCCC1.NCc1ccc([N+](=O)[O-])cc1F.NS(=O)(=O)CCc1ccc(CC(=O)CCc2ccc(C(F)(F)F)nc2N2CCCC2)cc1F.O=C1c2ccccc2C(=O)N1Cc1ccc([N+](=O)[O-])cc1F.O=[N+]([O-])c1ccc(CBr)c(F)c1.
What is the InChIKey of 1-(bromomethyl)-2-fluoro-4-nitrobenzene;tert-butyl N-[2-(4-amino-2-fluorophenyl)ethylsulfonyl]carbamate;tert-butyl N-[2-(2-fluoro-4-nitrophenyl)ethylsulfonyl]carbamate;tert-butyl N-[2-[2-fluoro-4-[2-oxo-4-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]butyl]phenyl]ethylsulfonyl]carbamate;2-fluoro-1-methyl-4-nitrobenzene;(2-fluoro-4-nitrophenyl)methanamine;2-[(2-fluoro-4-nitrophenyl)methyl]isoindole-1,3-dione;2-[2-fluoro-4-[2-oxo-4-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]butyl]phenyl]ethanesulfonamide;phenyl 2-[3-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]ethyl]phenyl]acetate;[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is VJOLMDPGYVMCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F4N3O5S.C22H25F4N3O3S.C21H24FNO6S.C15H9FN2O4.C13H17FN2O6S.C13H19FN2O4S.C11H14F3N3.C7H5BrFNO2.C7H7FN2O2.C7H6FNO2/c1-26(2,3)39-25(36)33-40(37,38)15-12-19-7-6-18(17-22(19)28)16-21(35)10-8-20-9-11-23(27(29,30)31)32-24(20)34-13-4-5-14-34;23-19-14-15(3-4-16(19)9-12-33(27,31)32)13-18(30)7-5-17-6-8-20(22(24,25)26)28-21(17)29-10-1-2-11-29;1-21(2,3)29-20(25)23-30(26,27)12-11-16-10-9-15(13-18(16)22)14-19(24)28-17-7-5-4-6-8-17;16-13-7-10(18(21)22)6-5-9(13)8-17-14(19)11-3-1-2-4-12(11)15(17)20;1-13(2,3)22-12(17)15-23(20,21)7-6-9-4-5-10(16(18)19)8-11(9)14;1-13(2,3)20-12(17)16-21(18,19)7-6-9-4-5-10(15)8-11(9)14;12-11(13,14)9-4-3-8(7-15)10(16-9)17-5-1-2-6-17;8-4-5-1-2-6(10(11)12)3-7(5)9;8-7-3-6(10(11)12)2-1-5(7)4-9;1-5-2-3-6(9(10)11)4-7(5)8/h6-7,9,11,17H,4-5,8,10,12-16H2,1-3H3,(H,33,36);3-4,6,8,14H,1-2,5,7,9-13H2,(H2,27,31,32);4-10,13H,11-12,14H2,1-3H3,(H,23,25);1-7H,8H2;4-5,8H,6-7H2,1-3H3,(H,15,17);4-5,8H,6-7,15H2,1-3H3,(H,16,17);3-4H,1-2,5-7,15H2;1-3H,4H2;1-3H,4,9H2;2-4H,1H3.
What are the key properties of 1-(bromomethyl)-2-fluoro-4-nitrobenzene;tert-butyl N-[2-(4-amino-2-fluorophenyl)ethylsulfonyl]carbamate;tert-butyl N-[2-(2-fluoro-4-nitrophenyl)ethylsulfonyl]carbamate;tert-butyl N-[2-[2-fluoro-4-[2-oxo-4-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]butyl]phenyl]ethylsulfonyl]carbamate;2-fluoro-1-methyl-4-nitrobenzene;(2-fluoro-4-nitrophenyl)methanamine;2-[(2-fluoro-4-nitrophenyl)methyl]isoindole-1,3-dione;2-[2-fluoro-4-[2-oxo-4-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]butyl]phenyl]ethanesulfonamide;phenyl 2-[3-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]ethyl]phenyl]acetate;[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methanamine?
1-(bromomethyl)-2-fluoro-4-nitrobenzene;tert-butyl N-[2-(4-amino-2-fluorophenyl)ethylsulfonyl]carbamate;tert-butyl N-[2-(2-fluoro-4-nitrophenyl)ethylsulfonyl]carbamate;tert-butyl N-[2-[2-fluoro-4-[2-oxo-4-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]butyl]phenyl]ethylsulfonyl]carbamate;2-fluoro-1-methyl-4-nitrobenzene;(2-fluoro-4-nitrophenyl)methanamine;2-[(2-fluoro-4-nitrophenyl)methyl]isoindole-1,3-dione;2-[2-fluoro-4-[2-oxo-4-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]butyl]phenyl]ethanesulfonamide;phenyl 2-[3-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]ethyl]phenyl]acetate;[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 3284.15 g/mol, XLogP of 26.26, 45 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-fluoro-4-nitrobenzene;tert-butyl N-[2-(4-amino-2-fluorophenyl)ethylsulfonyl]carbamate;tert-butyl N-[2-(2-fluoro-4-nitrophenyl)ethylsulfonyl]carbamate;tert-butyl N-[2-[2-fluoro-4-[2-oxo-4-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]butyl]phenyl]ethylsulfonyl]carbamate;2-fluoro-1-methyl-4-nitrobenzene;(2-fluoro-4-nitrophenyl)methanamine;2-[(2-fluoro-4-nitrophenyl)methyl]isoindole-1,3-dione;2-[2-fluoro-4-[2-oxo-4-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]butyl]phenyl]ethanesulfonamide;phenyl 2-[3-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]ethyl]phenyl]acetate;[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 161316533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).