N-(2-aminophenyl)-4-[3-(benzylamino)prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-(4-fluorophenyl)piperazin-1-yl]prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-1-en-2-yl]benzamide

C130H133F4N19O6 — CID 158772695

About N-(2-aminophenyl)-4-[3-(benzylamino)prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-(4-fluorophenyl)piperazin-1-yl]prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-1-en-2-yl]benzamide

N-(2-aminophenyl)-4-[3-(benzylamino)prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-(4-fluorophenyl)piperazin-1-yl]prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-1-en-2-yl]benzamide (PubChem CID 158772695) has the molecular formula C130H133F4N19O6 and a molecular weight of 2133.61 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[3-(benzylamino)prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-(4-fluorophenyl)piperazin-1-yl]prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-1-en-2-yl]benzamide.

Molecular Properties

• Compound Name: N-(2-aminophenyl)-4-[3-(benzylamino)prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-(4-fluorophenyl)piperazin-1-yl]prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-1-en-2-yl]benzamide
• PubChem CID: 158772695
• Molecular Formula: C130H133F4N19O6
• Molecular Weight: 2133.61 g/mol
• Exact Mass: 2132.06
• IUPAC Name: N-(2-aminophenyl)-4-[3-(benzylamino)prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-(4-fluorophenyl)piperazin-1-yl]prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-1-en-2-yl]benzamide
• SMILES: C=C(CN1CCN(c2ccc(F)cc2)CC1)c1ccc(C(=O)Nc2ccccc2N)cc1.C=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(C(=O)Nc2ccccc2N)cc1.C=C(CN1CCN(c2ccccc2OC)CC1)c1ccc(C(=O)Nc2ccccc2N)cc1.C=C(CN1CCc2c([nH]c3ccccc23)C1)c1ccc(C(=O)Nc2ccccc2N)cc1.C=C(CNCc1ccccc1)c1ccc(C(=O)Nc2ccccc2N)cc1
• InChI: InChI=1S/C27H27F3N4O.C27H30N4O2.C27H26N4O.C26H27FN4O.C23H23N3O/c1-19(20-9-11-21(12-10-20)26(35)32-25-8-3-2-7-24(25)31)18-33-13-15-34(16-14-33)23-6-4-5-22(17-23)27(28,29)30;1-20(19-30-15-17-31(18-16-30)25-9-5-6-10-26(25)33-2)21-11-13-22(14-12-21)27(32)29-24-8-4-3-7-23(24)28;1-18(16-31-15-14-22-21-6-2-4-8-24(21)29-26(22)17-31)19-10-12-20(13-11-19)27(32)30-25-9-5-3-7-23(25)28;1-19(18-30-14-16-31(17-15-30)23-12-10-22(27)11-13-23)20-6-8-21(9-7-20)26(32)29-25-5-3-2-4-24(25)28;1-17(15-25-16-18-7-3-2-4-8-18)19-11-13-20(14-12-19)23(27)26-22-10-6-5-9-21(22)24/h2-12,17H,1,13-16,18,31H2,(H,32,35);3-14H,1,15-19,28H2,2H3,(H,29,32);2-13,29H,1,14-17,28H2,(H,30,32);2-13H,1,14-18,28H2,(H,29,32);2-14,25H,1,15-16,24H2,(H,26,27)
• InChIKey: IQBNLHPUCHDFFA-UHFFFAOYSA-N
• XLogP: 23.63
• TPSA: 335.33 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 19
• Rotatable Bonds: 31
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2133.61
LogP ≤ 5	23.63
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[3-(benzylamino)prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-(4-fluorophenyl)piperazin-1-yl]prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-1-en-2-yl]benzamide?

The IUPAC name of N-(2-aminophenyl)-4-[3-(benzylamino)prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-(4-fluorophenyl)piperazin-1-yl]prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-1-en-2-yl]benzamide (CID 158772695) is N-(2-aminophenyl)-4-[3-(benzylamino)prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-(4-fluorophenyl)piperazin-1-yl]prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-1-en-2-yl]benzamide.

What is the SMILES notation for N-(2-aminophenyl)-4-[3-(benzylamino)prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-(4-fluorophenyl)piperazin-1-yl]prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-1-en-2-yl]benzamide?

The canonical SMILES for N-(2-aminophenyl)-4-[3-(benzylamino)prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-(4-fluorophenyl)piperazin-1-yl]prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-1-en-2-yl]benzamide is C=C(CN1CCN(c2ccc(F)cc2)CC1)c1ccc(C(=O)Nc2ccccc2N)cc1.C=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(C(=O)Nc2ccccc2N)cc1.C=C(CN1CCN(c2ccccc2OC)CC1)c1ccc(C(=O)Nc2ccccc2N)cc1.C=C(CN1CCc2c([nH]c3ccccc23)C1)c1ccc(C(=O)Nc2ccccc2N)cc1.C=C(CNCc1ccccc1)c1ccc(C(=O)Nc2ccccc2N)cc1.

What is the InChIKey of N-(2-aminophenyl)-4-[3-(benzylamino)prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-(4-fluorophenyl)piperazin-1-yl]prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-1-en-2-yl]benzamide?

The InChIKey is IQBNLHPUCHDFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N4O.C27H30N4O2.C27H26N4O.C26H27FN4O.C23H23N3O/c1-19(20-9-11-21(12-10-20)26(35)32-25-8-3-2-7-24(25)31)18-33-13-15-34(16-14-33)23-6-4-5-22(17-23)27(28,29)30;1-20(19-30-15-17-31(18-16-30)25-9-5-6-10-26(25)33-2)21-11-13-22(14-12-21)27(32)29-24-8-4-3-7-23(24)28;1-18(16-31-15-14-22-21-6-2-4-8-24(21)29-26(22)17-31)19-10-12-20(13-11-19)27(32)30-25-9-5-3-7-23(25)28;1-19(18-30-14-16-31(17-15-30)23-12-10-22(27)11-13-23)20-6-8-21(9-7-20)26(32)29-25-5-3-2-4-24(25)28;1-17(15-25-16-18-7-3-2-4-8-18)19-11-13-20(14-12-19)23(27)26-22-10-6-5-9-21(22)24/h2-12,17H,1,13-16,18,31H2,(H,32,35);3-14H,1,15-19,28H2,2H3,(H,29,32);2-13,29H,1,14-17,28H2,(H,30,32);2-13H,1,14-18,28H2,(H,29,32);2-14,25H,1,15-16,24H2,(H,26,27).

What are the key properties of N-(2-aminophenyl)-4-[3-(benzylamino)prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-(4-fluorophenyl)piperazin-1-yl]prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-1-en-2-yl]benzamide?

N-(2-aminophenyl)-4-[3-(benzylamino)prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-(4-fluorophenyl)piperazin-1-yl]prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-1-en-2-yl]benzamide has a molecular weight of 2133.61 g/mol, XLogP of 23.63, 31 rotatable bonds, 12 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminophenyl)-4-[3-(benzylamino)prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-(4-fluorophenyl)piperazin-1-yl]prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)prop-1-en-2-yl]benzamide;N-(2-aminophenyl)-4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-1-en-2-yl]benzamide is sourced from PubChem (CID 158772695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).