4-amino-N-(4-methylphenyl)benzamide;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-methylaniline;4-(3,4-dimethylphenyl)-2-methylaniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;2,6-dimethyl-4-(3,4,5-trimethylphenyl)aniline;4-methylaniline;2-(4-methylphenyl)-3H-benzimidazol-5-amine;2-(4-methylphenyl)-1,3-benzoxazol-5-amine;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline;2,3,5,6-tetramethylbenzene-1,4-diamine;2,3,5-trifluoro-6-methylbenzene-1,4-diamine

C154H154Cl4F14N18O2 — CID 167641139

About 4-amino-N-(4-methylphenyl)benzamide;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-methylaniline;4-(3,4-dimethylphenyl)-2-methylaniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;2,6-dimethyl-4-(3,4,5-trimethylphenyl)aniline;4-methylaniline;2-(4-methylphenyl)-3H-benzimidazol-5-amine;2-(4-methylphenyl)-1,3-benzoxazol-5-amine;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline;2,3,5,6-tetramethylbenzene-1,4-diamine;2,3,5-trifluoro-6-methylbenzene-1,4-diamine

4-amino-N-(4-methylphenyl)benzamide;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-methylaniline;4-(3,4-dimethylphenyl)-2-methylaniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;2,6-dimethyl-4-(3,4,5-trimethylphenyl)aniline;4-methylaniline;2-(4-methylphenyl)-3H-benzimidazol-5-amine;2-(4-methylphenyl)-1,3-benzoxazol-5-amine;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline;2,3,5,6-tetramethylbenzene-1,4-diamine;2,3,5-trifluoro-6-methylbenzene-1,4-diamine (PubChem CID 167641139) has the molecular formula C154H154Cl4F14N18O2 and a molecular weight of 2696.83 g/mol. Its IUPAC name is 4-amino-N-(4-methylphenyl)benzamide;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-methylaniline;4-(3,4-dimethylphenyl)-2-methylaniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;2,6-dimethyl-4-(3,4,5-trimethylphenyl)aniline;4-methylaniline;2-(4-methylphenyl)-3H-benzimidazol-5-amine;2-(4-methylphenyl)-1,3-benzoxazol-5-amine;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline;2,3,5,6-tetramethylbenzene-1,4-diamine;2,3,5-trifluoro-6-methylbenzene-1,4-diamine.

Molecular Properties

• Compound Name: 4-amino-N-(4-methylphenyl)benzamide;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-methylaniline;4-(3,4-dimethylphenyl)-2-methylaniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;2,6-dimethyl-4-(3,4,5-trimethylphenyl)aniline;4-methylaniline;2-(4-methylphenyl)-3H-benzimidazol-5-amine;2-(4-methylphenyl)-1,3-benzoxazol-5-amine;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline;2,3,5,6-tetramethylbenzene-1,4-diamine;2,3,5-trifluoro-6-methylbenzene-1,4-diamine
• PubChem CID: 167641139
• Molecular Formula: C154H154Cl4F14N18O2
• Molecular Weight: 2696.83 g/mol
• Exact Mass: 2693.10
• IUPAC Name: 4-amino-N-(4-methylphenyl)benzamide;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-methylaniline;4-(3,4-dimethylphenyl)-2-methylaniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;2,6-dimethyl-4-(3,4,5-trimethylphenyl)aniline;4-methylaniline;2-(4-methylphenyl)-3H-benzimidazol-5-amine;2-(4-methylphenyl)-1,3-benzoxazol-5-amine;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline;2,3,5,6-tetramethylbenzene-1,4-diamine;2,3,5-trifluoro-6-methylbenzene-1,4-diamine
• SMILES: Cc1c(C)c(N)c(C)c(C)c1N.Cc1c(F)c(F)c(-c2c(F)c(F)c(N)c(F)c2F)c(F)c1F.Cc1c(N)c(F)c(F)c(N)c1F.Cc1cc(-c2cc(C)c(N)c(C)c2)cc(C)c1C.Cc1cc(Cl)c(-c2cc(Cl)c(N)cc2Cl)cc1Cl.Cc1ccc(-c2ccc(N)c(C)c2)cc1C.Cc1ccc(-c2ccc(N)cc2C(F)(F)F)c(C)c1.Cc1ccc(-c2ccc(N)cc2C)c(C)c1.Cc1ccc(-c2nc3cc(N)ccc3o2)cc1.Cc1ccc(-c2nc3ccc(N)cc3[nH]2)cc1.Cc1ccc(N)cc1.Cc1ccc(NC(=O)c2ccc(N)cc2)cc1
• InChI: InChI=1S/C17H21N.C15H14F3N.2C15H17N.C14H13N3.C14H12N2O.C14H14N2O.C13H9Cl4N.C13H5F8N.C10H16N2.C7H7F3N2.C7H9N/c1-10-6-15(7-11(2)14(10)5)16-8-12(3)17(18)13(4)9-16;1-9-3-5-12(10(2)7-9)13-6-4-11(19)8-14(13)15(16,17)18;1-10-4-6-14(11(2)8-10)15-7-5-13(16)9-12(15)3;1-10-4-5-13(8-11(10)2)14-6-7-15(16)12(3)9-14;1-9-2-4-10(5-3-9)14-16-12-7-6-11(15)8-13(12)17-14;1-9-2-4-10(5-3-9)14-16-12-8-11(15)6-7-13(12)17-14;1-10-2-8-13(9-3-10)16-14(17)11-4-6-12(15)7-5-11;1-6-2-10(15)7(3-9(6)14)8-4-12(17)13(18)5-11(8)16;1-2-5(14)7(16)3(8(17)6(2)15)4-9(18)11(20)13(22)12(21)10(4)19;1-5-6(2)10(12)8(4)7(3)9(5)11;1-2-3(8)7(12)5(10)4(9)6(2)11;1-6-2-4-7(8)5-3-6/h6-9H,18H2,1-5H3;3-8H,19H2,1-2H3;2*4-9H,16H2,1-3H3;2-8H,15H2,1H3,(H,16,17);2-8H,15H2,1H3;2-9H,15H2,1H3,(H,16,17);2-5H,18H2,1H3;22H2,1H3;11-12H2,1-4H3;11-12H2,1H3;2-5H,8H2,1H3
• InChIKey: PEFZDEHLKDQCHS-UHFFFAOYSA-N
• XLogP: 41.56
• TPSA: 448.09 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2696.83
LogP ≤ 5	41.56
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methylphenyl)benzamide;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-methylaniline;4-(3,4-dimethylphenyl)-2-methylaniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;2,6-dimethyl-4-(3,4,5-trimethylphenyl)aniline;4-methylaniline;2-(4-methylphenyl)-3H-benzimidazol-5-amine;2-(4-methylphenyl)-1,3-benzoxazol-5-amine;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline;2,3,5,6-tetramethylbenzene-1,4-diamine;2,3,5-trifluoro-6-methylbenzene-1,4-diamine?

The IUPAC name of 4-amino-N-(4-methylphenyl)benzamide;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-methylaniline;4-(3,4-dimethylphenyl)-2-methylaniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;2,6-dimethyl-4-(3,4,5-trimethylphenyl)aniline;4-methylaniline;2-(4-methylphenyl)-3H-benzimidazol-5-amine;2-(4-methylphenyl)-1,3-benzoxazol-5-amine;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline;2,3,5,6-tetramethylbenzene-1,4-diamine;2,3,5-trifluoro-6-methylbenzene-1,4-diamine (CID 167641139) is 4-amino-N-(4-methylphenyl)benzamide;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-methylaniline;4-(3,4-dimethylphenyl)-2-methylaniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;2,6-dimethyl-4-(3,4,5-trimethylphenyl)aniline;4-methylaniline;2-(4-methylphenyl)-3H-benzimidazol-5-amine;2-(4-methylphenyl)-1,3-benzoxazol-5-amine;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline;2,3,5,6-tetramethylbenzene-1,4-diamine;2,3,5-trifluoro-6-methylbenzene-1,4-diamine.

What is the SMILES notation for 4-amino-N-(4-methylphenyl)benzamide;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-methylaniline;4-(3,4-dimethylphenyl)-2-methylaniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;2,6-dimethyl-4-(3,4,5-trimethylphenyl)aniline;4-methylaniline;2-(4-methylphenyl)-3H-benzimidazol-5-amine;2-(4-methylphenyl)-1,3-benzoxazol-5-amine;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline;2,3,5,6-tetramethylbenzene-1,4-diamine;2,3,5-trifluoro-6-methylbenzene-1,4-diamine?

The canonical SMILES for 4-amino-N-(4-methylphenyl)benzamide;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-methylaniline;4-(3,4-dimethylphenyl)-2-methylaniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;2,6-dimethyl-4-(3,4,5-trimethylphenyl)aniline;4-methylaniline;2-(4-methylphenyl)-3H-benzimidazol-5-amine;2-(4-methylphenyl)-1,3-benzoxazol-5-amine;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline;2,3,5,6-tetramethylbenzene-1,4-diamine;2,3,5-trifluoro-6-methylbenzene-1,4-diamine is Cc1c(C)c(N)c(C)c(C)c1N.Cc1c(F)c(F)c(-c2c(F)c(F)c(N)c(F)c2F)c(F)c1F.Cc1c(N)c(F)c(F)c(N)c1F.Cc1cc(-c2cc(C)c(N)c(C)c2)cc(C)c1C.Cc1cc(Cl)c(-c2cc(Cl)c(N)cc2Cl)cc1Cl.Cc1ccc(-c2ccc(N)c(C)c2)cc1C.Cc1ccc(-c2ccc(N)cc2C(F)(F)F)c(C)c1.Cc1ccc(-c2ccc(N)cc2C)c(C)c1.Cc1ccc(-c2nc3cc(N)ccc3o2)cc1.Cc1ccc(-c2nc3ccc(N)cc3[nH]2)cc1.Cc1ccc(N)cc1.Cc1ccc(NC(=O)c2ccc(N)cc2)cc1.

What is the InChIKey of 4-amino-N-(4-methylphenyl)benzamide;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-methylaniline;4-(3,4-dimethylphenyl)-2-methylaniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;2,6-dimethyl-4-(3,4,5-trimethylphenyl)aniline;4-methylaniline;2-(4-methylphenyl)-3H-benzimidazol-5-amine;2-(4-methylphenyl)-1,3-benzoxazol-5-amine;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline;2,3,5,6-tetramethylbenzene-1,4-diamine;2,3,5-trifluoro-6-methylbenzene-1,4-diamine?

The InChIKey is PEFZDEHLKDQCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N.C15H14F3N.2C15H17N.C14H13N3.C14H12N2O.C14H14N2O.C13H9Cl4N.C13H5F8N.C10H16N2.C7H7F3N2.C7H9N/c1-10-6-15(7-11(2)14(10)5)16-8-12(3)17(18)13(4)9-16;1-9-3-5-12(10(2)7-9)13-6-4-11(19)8-14(13)15(16,17)18;1-10-4-6-14(11(2)8-10)15-7-5-13(16)9-12(15)3;1-10-4-5-13(8-11(10)2)14-6-7-15(16)12(3)9-14;1-9-2-4-10(5-3-9)14-16-12-7-6-11(15)8-13(12)17-14;1-9-2-4-10(5-3-9)14-16-12-8-11(15)6-7-13(12)17-14;1-10-2-8-13(9-3-10)16-14(17)11-4-6-12(15)7-5-11;1-6-2-10(15)7(3-9(6)14)8-4-12(17)13(18)5-11(8)16;1-2-5(14)7(16)3(8(17)6(2)15)4-9(18)11(20)13(22)12(21)10(4)19;1-5-6(2)10(12)8(4)7(3)9(5)11;1-2-3(8)7(12)5(10)4(9)6(2)11;1-6-2-4-7(8)5-3-6/h6-9H,18H2,1-5H3;3-8H,19H2,1-2H3;2*4-9H,16H2,1-3H3;2-8H,15H2,1H3,(H,16,17);2-8H,15H2,1H3;2-9H,15H2,1H3,(H,16,17);2-5H,18H2,1H3;22H2,1H3;11-12H2,1-4H3;11-12H2,1H3;2-5H,8H2,1H3.

What are the key properties of 4-amino-N-(4-methylphenyl)benzamide;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-methylaniline;4-(3,4-dimethylphenyl)-2-methylaniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;2,6-dimethyl-4-(3,4,5-trimethylphenyl)aniline;4-methylaniline;2-(4-methylphenyl)-3H-benzimidazol-5-amine;2-(4-methylphenyl)-1,3-benzoxazol-5-amine;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline;2,3,5,6-tetramethylbenzene-1,4-diamine;2,3,5-trifluoro-6-methylbenzene-1,4-diamine?

4-amino-N-(4-methylphenyl)benzamide;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-methylaniline;4-(3,4-dimethylphenyl)-2-methylaniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;2,6-dimethyl-4-(3,4,5-trimethylphenyl)aniline;4-methylaniline;2-(4-methylphenyl)-3H-benzimidazol-5-amine;2-(4-methylphenyl)-1,3-benzoxazol-5-amine;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline;2,3,5,6-tetramethylbenzene-1,4-diamine;2,3,5-trifluoro-6-methylbenzene-1,4-diamine has a molecular weight of 2696.83 g/mol, XLogP of 41.56, 10 rotatable bonds, 16 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-(4-methylphenyl)benzamide;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-methylaniline;4-(3,4-dimethylphenyl)-2-methylaniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;2,6-dimethyl-4-(3,4,5-trimethylphenyl)aniline;4-methylaniline;2-(4-methylphenyl)-3H-benzimidazol-5-amine;2-(4-methylphenyl)-1,3-benzoxazol-5-amine;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline;2,3,5,6-tetramethylbenzene-1,4-diamine;2,3,5-trifluoro-6-methylbenzene-1,4-diamine is sourced from PubChem (CID 167641139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).