4-amino-N-(4-aminophenyl)benzamide;4-(4-amino-2-methylphenyl)-3-methylaniline;4-[4-[2-[4-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]aniline;4-(4-aminophenyl)sulfonylaniline

C66H61F6N9O5S — CID 158155828

IUPAC4-amino-N-(4-aminophenyl)benzamide;4-(4-amino-2-methylphenyl)-3-methylaniline;4-[4-[2-[4-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]aniline;4-(4-aminophenyl)sulfonylaniline
SMILESCc1cc(N)ccc1-c1ccc(N)cc1C.Nc1ccc(NC(=O)c2ccc(N)cc2)cc1.Nc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1.Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C27H20F6N2O2.C14H16N2.C13H13N3O.C12H12N2O2S/c28-26(29,30)25(27(31,32)33,17-1-9-21(10-2-17)36-23-13-5-19(34)6-14-23)18-3-11-22(12-4-18)37-24-15-7-20(35)8-16-24;1-9-7-11(15)3-5-13(9)14-6-4-12(16)8-10(14)2;14-10-3-1-9(2-4-10)13(17)16-12-7-5-11(15)6-8-12;13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-16H,34-35H2;3-8H,15-16H2,1-2H3;1-8H,14-15H2,(H,16,17);1-8H,13-14H2
InChIKeyFVRCFPYOAOYNFU-UHFFFAOYSA-N
MW1206.33 g/mol
LogP14.77
Rot. Bonds11

About 4-amino-N-(4-aminophenyl)benzamide;4-(4-amino-2-methylphenyl)-3-methylaniline;4-[4-[2-[4-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]aniline;4-(4-aminophenyl)sulfonylaniline

4-amino-N-(4-aminophenyl)benzamide;4-(4-amino-2-methylphenyl)-3-methylaniline;4-[4-[2-[4-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]aniline;4-(4-aminophenyl)sulfonylaniline (PubChem CID 158155828) has the molecular formula C66H61F6N9O5S and a molecular weight of 1206.33 g/mol. Its IUPAC name is 4-amino-N-(4-aminophenyl)benzamide;4-(4-amino-2-methylphenyl)-3-methylaniline;4-[4-[2-[4-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]aniline;4-(4-aminophenyl)sulfonylaniline.

Molecular Properties

Compound Name4-amino-N-(4-aminophenyl)benzamide;4-(4-amino-2-methylphenyl)-3-methylaniline;4-[4-[2-[4-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]aniline;4-(4-aminophenyl)sulfonylaniline
PubChem CID158155828
Molecular FormulaC66H61F6N9O5S
Molecular Weight1206.33 g/mol
Exact Mass1205.44
IUPAC Name4-amino-N-(4-aminophenyl)benzamide;4-(4-amino-2-methylphenyl)-3-methylaniline;4-[4-[2-[4-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]aniline;4-(4-aminophenyl)sulfonylaniline
SMILESCc1cc(N)ccc1-c1ccc(N)cc1C.Nc1ccc(NC(=O)c2ccc(N)cc2)cc1.Nc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1.Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C27H20F6N2O2.C14H16N2.C13H13N3O.C12H12N2O2S/c28-26(29,30)25(27(31,32)33,17-1-9-21(10-2-17)36-23-13-5-19(34)6-14-23)18-3-11-22(12-4-18)37-24-15-7-20(35)8-16-24;1-9-7-11(15)3-5-13(9)14-6-4-12(16)8-10(14)2;14-10-3-1-9(2-4-10)13(17)16-12-7-5-11(15)6-8-12;13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-16H,34-35H2;3-8H,15-16H2,1-2H3;1-8H,14-15H2,(H,16,17);1-8H,13-14H2
InChIKeyFVRCFPYOAOYNFU-UHFFFAOYSA-N
XLogP14.77
TPSA289.86 Ų
H-Bond Donors9
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms87
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001206.33
LogP ≤ 514.77
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-aminophenyl)benzamide;4-(4-amino-2-methylphenyl)-3-methylaniline;4-[4-[2-[4-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]aniline;4-(4-aminophenyl)sulfonylaniline?
The IUPAC name of 4-amino-N-(4-aminophenyl)benzamide;4-(4-amino-2-methylphenyl)-3-methylaniline;4-[4-[2-[4-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]aniline;4-(4-aminophenyl)sulfonylaniline (CID 158155828) is 4-amino-N-(4-aminophenyl)benzamide;4-(4-amino-2-methylphenyl)-3-methylaniline;4-[4-[2-[4-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]aniline;4-(4-aminophenyl)sulfonylaniline.
What is the SMILES notation for 4-amino-N-(4-aminophenyl)benzamide;4-(4-amino-2-methylphenyl)-3-methylaniline;4-[4-[2-[4-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]aniline;4-(4-aminophenyl)sulfonylaniline?
The canonical SMILES for 4-amino-N-(4-aminophenyl)benzamide;4-(4-amino-2-methylphenyl)-3-methylaniline;4-[4-[2-[4-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]aniline;4-(4-aminophenyl)sulfonylaniline is Cc1cc(N)ccc1-c1ccc(N)cc1C.Nc1ccc(NC(=O)c2ccc(N)cc2)cc1.Nc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1.Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-amino-N-(4-aminophenyl)benzamide;4-(4-amino-2-methylphenyl)-3-methylaniline;4-[4-[2-[4-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]aniline;4-(4-aminophenyl)sulfonylaniline?
The InChIKey is FVRCFPYOAOYNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F6N2O2.C14H16N2.C13H13N3O.C12H12N2O2S/c28-26(29,30)25(27(31,32)33,17-1-9-21(10-2-17)36-23-13-5-19(34)6-14-23)18-3-11-22(12-4-18)37-24-15-7-20(35)8-16-24;1-9-7-11(15)3-5-13(9)14-6-4-12(16)8-10(14)2;14-10-3-1-9(2-4-10)13(17)16-12-7-5-11(15)6-8-12;13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-16H,34-35H2;3-8H,15-16H2,1-2H3;1-8H,14-15H2,(H,16,17);1-8H,13-14H2.
What are the key properties of 4-amino-N-(4-aminophenyl)benzamide;4-(4-amino-2-methylphenyl)-3-methylaniline;4-[4-[2-[4-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]aniline;4-(4-aminophenyl)sulfonylaniline?
4-amino-N-(4-aminophenyl)benzamide;4-(4-amino-2-methylphenyl)-3-methylaniline;4-[4-[2-[4-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]aniline;4-(4-aminophenyl)sulfonylaniline has a molecular weight of 1206.33 g/mol, XLogP of 14.77, 11 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-aminophenyl)benzamide;4-(4-amino-2-methylphenyl)-3-methylaniline;4-[4-[2-[4-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]aniline;4-(4-aminophenyl)sulfonylaniline is sourced from PubChem (CID 158155828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).