N-[5-(benzylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-ethoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-methoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-butyl-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]acetamide

C110H110F5N29O31 — CID 164975401

IUPACN-[5-(benzylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-ethoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-methoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-butyl-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]acetamide
SMILESCCCCc1cc(NC(C)=O)c(/N=N/c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC.CCN(CC)c1ccc(/N=N/c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])c(NC(C)=O)c1.CCOCCN(Cc1ccccc1)c1cc(NC(C)=O)c(/N=N/c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC.COCCN(Cc1ccccc1)c1cc(NC(C)=O)c(/N=N/c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC.COc1cc(/N=N/c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])c(NC(C)=O)cc1NCc1ccccc1
InChIInChI=1S/C26H27FN6O7.C25H25FN6O7.C22H19FN6O6.C19H20FN5O6.C18H19FN6O5/c1-4-40-11-10-31(16-18-8-6-5-7-9-18)25-13-20(28-17(2)34)21(14-26(25)39-3)29-30-22-12-19(27)23(32(35)36)15-24(22)33(37)38;1-16(33)27-19-12-24(30(9-10-38-2)15-17-7-5-4-6-8-17)25(39-3)13-20(19)28-29-21-11-18(26)22(31(34)35)14-23(21)32(36)37;1-13(30)25-16-9-19(24-12-14-6-4-3-5-7-14)22(35-2)10-17(16)26-27-18-8-15(23)20(28(31)32)11-21(18)29(33)34;1-4-5-6-12-7-14(21-11(2)26)15(9-19(12)31-3)22-23-16-8-13(20)17(24(27)28)10-18(16)25(29)30;1-4-23(5-2)12-6-7-14(15(8-12)20-11(3)26)21-22-16-9-13(19)17(24(27)28)10-18(16)25(29)30/h5-9,12-15H,4,10-11,16H2,1-3H3,(H,28,34);4-8,11-14H,9-10,15H2,1-3H3,(H,27,33);3-11,24H,12H2,1-2H3,(H,25,30);7-10H,4-6H2,1-3H3,(H,21,26);6-10H,4-5H2,1-3H3,(H,20,26)/b30-29+;29-28+;27-26+;23-22+;22-21+
InChIKeyDRYOJODFKGSOQV-JOSBIMINSA-N
MW2429.25 g/mol
LogP27.61
Rot. Bonds51

About N-[5-(benzylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-ethoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-methoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-butyl-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]acetamide

N-[5-(benzylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-ethoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-methoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-butyl-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]acetamide (PubChem CID 164975401) has the molecular formula C110H110F5N29O31 and a molecular weight of 2429.25 g/mol. Its IUPAC name is N-[5-(benzylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-ethoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-methoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-butyl-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[5-(benzylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-ethoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-methoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-butyl-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]acetamide
PubChem CID164975401
Molecular FormulaC110H110F5N29O31
Molecular Weight2429.25 g/mol
Exact Mass2427.78
IUPAC NameN-[5-(benzylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-ethoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-methoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-butyl-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]acetamide
SMILESCCCCc1cc(NC(C)=O)c(/N=N/c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC.CCN(CC)c1ccc(/N=N/c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])c(NC(C)=O)c1.CCOCCN(Cc1ccccc1)c1cc(NC(C)=O)c(/N=N/c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC.COCCN(Cc1ccccc1)c1cc(NC(C)=O)c(/N=N/c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC.COc1cc(/N=N/c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])c(NC(C)=O)cc1NCc1ccccc1
InChIInChI=1S/C26H27FN6O7.C25H25FN6O7.C22H19FN6O6.C19H20FN5O6.C18H19FN6O5/c1-4-40-11-10-31(16-18-8-6-5-7-9-18)25-13-20(28-17(2)34)21(14-26(25)39-3)29-30-22-12-19(27)23(32(35)36)15-24(22)33(37)38;1-16(33)27-19-12-24(30(9-10-38-2)15-17-7-5-4-6-8-17)25(39-3)13-20(19)28-29-21-11-18(26)22(31(34)35)14-23(21)32(36)37;1-13(30)25-16-9-19(24-12-14-6-4-3-5-7-14)22(35-2)10-17(16)26-27-18-8-15(23)20(28(31)32)11-21(18)29(33)34;1-4-5-6-12-7-14(21-11(2)26)15(9-19(12)31-3)22-23-16-8-13(20)17(24(27)28)10-18(16)25(29)30;1-4-23(5-2)12-6-7-14(15(8-12)20-11(3)26)21-22-16-9-13(19)17(24(27)28)10-18(16)25(29)30/h5-9,12-15H,4,10-11,16H2,1-3H3,(H,28,34);4-8,11-14H,9-10,15H2,1-3H3,(H,27,33);3-11,24H,12H2,1-2H3,(H,25,30);7-10H,4-6H2,1-3H3,(H,21,26);6-10H,4-5H2,1-3H3,(H,20,26)/b30-29+;29-28+;27-26+;23-22+;22-21+
InChIKeyDRYOJODFKGSOQV-JOSBIMINSA-N
XLogP27.61
TPSA777.63 Ų
H-Bond Donors6
H-Bond Acceptors45
Rotatable Bonds51
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002429.25
LogP ≤ 527.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[5-(benzylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-ethoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-methoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-butyl-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[bis(2-methoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide
CID 155699021
N-[5-(diethylamino)-2-[(2,4-dinitro-5-propoxyphenyl)diazenyl]phenyl]acetamide
CID 10994155
N-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]propanamide
CID 155150461
methyl 3-[5-acetamido-4-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-2-methoxyanilino]propanoate
CID 155148661
2-oxopropyl 3-[5-acetamido-N-benzyl-4-[(2-chloro-4,6-dinitrophenyl)diazenyl]-2-methoxyanilino]propanoate
CID 90138051
methyl 3-[5-acetamido-4-[(2,4-dinitro-5-thiocyanatophenyl)diazenyl]-2-methoxy-N-(3-methoxy-3-oxopropyl)anilino]propanoate
CID 155699051
2-methylprop-2-enyl 3-[5-acetamido-N-ethyl-4-[(5-isocyanosulfanyl-2,4-dinitrophenyl)diazenyl]-2-methoxyanilino]propanoate
CID 164959642
dimethyl 4-[[2-acetamido-4-(diethylamino)phenyl]diazenyl]-3-nitrobenzene-1,2-dicarboxylate
CID 71558290
[2-[[2-acetamido-4-(diethylamino)phenyl]diazenyl]-3,5-dinitro-4,6-dipentylphenoxy]-hydroxy-oxophosphanium
CID 88801295
methyl 3-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-N-ethyl-2-methoxyanilino]propanoate
CID 155699071
2-methylprop-2-enyl 3-[3-acetamido-N-benzyl-4-[(2-cyano-4-nitrophenyl)diazenyl]anilino]propanoate
CID 164991005
N-[5-[bis(2-hydroxy-3-methoxypropyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide
CID 102503883

Frequently Asked Questions

What is the IUPAC name of N-[5-(benzylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-ethoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-methoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-butyl-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]acetamide?
The IUPAC name of N-[5-(benzylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-ethoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-methoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-butyl-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]acetamide (CID 164975401) is N-[5-(benzylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-ethoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-methoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-butyl-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]acetamide.
What is the SMILES notation for N-[5-(benzylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-ethoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-methoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-butyl-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]acetamide?
The canonical SMILES for N-[5-(benzylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-ethoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-methoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-butyl-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]acetamide is CCCCc1cc(NC(C)=O)c(/N=N/c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC.CCN(CC)c1ccc(/N=N/c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])c(NC(C)=O)c1.CCOCCN(Cc1ccccc1)c1cc(NC(C)=O)c(/N=N/c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC.COCCN(Cc1ccccc1)c1cc(NC(C)=O)c(/N=N/c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC.COc1cc(/N=N/c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])c(NC(C)=O)cc1NCc1ccccc1.
What is the InChIKey of N-[5-(benzylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-ethoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-methoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-butyl-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]acetamide?
The InChIKey is DRYOJODFKGSOQV-JOSBIMINSA-N. The full InChI is InChI=1S/C26H27FN6O7.C25H25FN6O7.C22H19FN6O6.C19H20FN5O6.C18H19FN6O5/c1-4-40-11-10-31(16-18-8-6-5-7-9-18)25-13-20(28-17(2)34)21(14-26(25)39-3)29-30-22-12-19(27)23(32(35)36)15-24(22)33(37)38;1-16(33)27-19-12-24(30(9-10-38-2)15-17-7-5-4-6-8-17)25(39-3)13-20(19)28-29-21-11-18(26)22(31(34)35)14-23(21)32(36)37;1-13(30)25-16-9-19(24-12-14-6-4-3-5-7-14)22(35-2)10-17(16)26-27-18-8-15(23)20(28(31)32)11-21(18)29(33)34;1-4-5-6-12-7-14(21-11(2)26)15(9-19(12)31-3)22-23-16-8-13(20)17(24(27)28)10-18(16)25(29)30;1-4-23(5-2)12-6-7-14(15(8-12)20-11(3)26)21-22-16-9-13(19)17(24(27)28)10-18(16)25(29)30/h5-9,12-15H,4,10-11,16H2,1-3H3,(H,28,34);4-8,11-14H,9-10,15H2,1-3H3,(H,27,33);3-11,24H,12H2,1-2H3,(H,25,30);7-10H,4-6H2,1-3H3,(H,21,26);6-10H,4-5H2,1-3H3,(H,20,26)/b30-29+;29-28+;27-26+;23-22+;22-21+.
What are the key properties of N-[5-(benzylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-ethoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-methoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-butyl-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]acetamide?
N-[5-(benzylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-ethoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-methoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-butyl-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]acetamide has a molecular weight of 2429.25 g/mol, XLogP of 27.61, 51 rotatable bonds, 6 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(benzylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-ethoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-methoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-butyl-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]acetamide is sourced from PubChem (CID 164975401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).