N-[2-[bis(2-hydroxyethyl)amino]ethyl]-5-bromo-2-(4-iodo-2-methylanilino)benzamide;N-[2-[bis(2-hydroxyethyl)amino]ethyl]-5-chloro-2-(4-iodo-2-methylanilino)benzamide;5-bromo-2-(2-ethyl-4-iodoanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-(pyridin-4-ylmethyl)benzamide;N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-2-(4-iodo-2-methylanilino)benzamide

C104H123Br2ClFI5N16O10 — CID 173277052

About N-[2-[bis(2-hydroxyethyl)amino]ethyl]-5-bromo-2-(4-iodo-2-methylanilino)benzamide;N-[2-[bis(2-hydroxyethyl)amino]ethyl]-5-chloro-2-(4-iodo-2-methylanilino)benzamide;5-bromo-2-(2-ethyl-4-iodoanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-(pyridin-4-ylmethyl)benzamide;N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-2-(4-iodo-2-methylanilino)benzamide

N-[2-[bis(2-hydroxyethyl)amino]ethyl]-5-bromo-2-(4-iodo-2-methylanilino)benzamide;N-[2-[bis(2-hydroxyethyl)amino]ethyl]-5-chloro-2-(4-iodo-2-methylanilino)benzamide;5-bromo-2-(2-ethyl-4-iodoanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-(pyridin-4-ylmethyl)benzamide;N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-2-(4-iodo-2-methylanilino)benzamide (PubChem CID 173277052) has the molecular formula C104H123Br2ClFI5N16O10 and a molecular weight of 2606.01 g/mol. Its IUPAC name is N-[2-[bis(2-hydroxyethyl)amino]ethyl]-5-bromo-2-(4-iodo-2-methylanilino)benzamide;N-[2-[bis(2-hydroxyethyl)amino]ethyl]-5-chloro-2-(4-iodo-2-methylanilino)benzamide;5-bromo-2-(2-ethyl-4-iodoanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-(pyridin-4-ylmethyl)benzamide;N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-2-(4-iodo-2-methylanilino)benzamide.

Molecular Properties

• Compound Name: N-[2-[bis(2-hydroxyethyl)amino]ethyl]-5-bromo-2-(4-iodo-2-methylanilino)benzamide;N-[2-[bis(2-hydroxyethyl)amino]ethyl]-5-chloro-2-(4-iodo-2-methylanilino)benzamide;5-bromo-2-(2-ethyl-4-iodoanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-(pyridin-4-ylmethyl)benzamide;N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-2-(4-iodo-2-methylanilino)benzamide
• PubChem CID: 173277052
• Molecular Formula: C104H123Br2ClFI5N16O10
• Molecular Weight: 2606.01 g/mol
• Exact Mass: 2602.29
• IUPAC Name: N-[2-[bis(2-hydroxyethyl)amino]ethyl]-5-bromo-2-(4-iodo-2-methylanilino)benzamide;N-[2-[bis(2-hydroxyethyl)amino]ethyl]-5-chloro-2-(4-iodo-2-methylanilino)benzamide;5-bromo-2-(2-ethyl-4-iodoanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-(pyridin-4-ylmethyl)benzamide;N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-2-(4-iodo-2-methylanilino)benzamide
• SMILES: CCc1cc(I)ccc1Nc1ccc(Br)cc1C(=O)NCCN1CCCC1.Cc1cc(I)ccc1Nc1ccc(Br)cc1C(=O)NCCN(CCO)CCO.Cc1cc(I)ccc1Nc1ccc(Cl)cc1C(=O)NCCN(CCO)CCO.Cc1cc(I)ccc1Nc1ccc(F)cc1C(=O)NCc1ccncc1.Cc1cc(I)ccc1Nc1ccccc1C(=O)NCCCN1CCN(CCO)CC1
• InChI: InChI=1S/C23H31IN4O2.C21H25BrIN3O.C20H25BrIN3O3.C20H25ClIN3O3.C20H17FIN3O/c1-18-17-19(24)7-8-21(18)26-22-6-3-2-5-20(22)23(30)25-9-4-10-27-11-13-28(14-12-27)15-16-29;1-2-15-13-17(23)6-8-19(15)25-20-7-5-16(22)14-18(20)21(27)24-9-12-26-10-3-4-11-26;2*1-14-12-16(22)3-5-18(14)24-19-4-2-15(21)13-17(19)20(28)23-6-7-25(8-10-26)9-11-27;1-13-10-16(22)3-5-18(13)25-19-4-2-15(21)11-17(19)20(26)24-12-14-6-8-23-9-7-14/h2-3,5-8,17,26,29H,4,9-16H2,1H3,(H,25,30);5-8,13-14,25H,2-4,9-12H2,1H3,(H,24,27);2*2-5,12-13,24,26-27H,6-11H2,1H3,(H,23,28);2-11,25H,12H2,1H3,(H,24,26)
• InChIKey: UTOIWRSFFUWLLM-UHFFFAOYSA-N
• XLogP: 19.20
• TPSA: 335.89 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 21
• Rotatable Bonds: 41
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2606.01
LogP ≤ 5	19.20
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis(2-hydroxyethyl)amino]ethyl]-5-bromo-2-(4-iodo-2-methylanilino)benzamide;N-[2-[bis(2-hydroxyethyl)amino]ethyl]-5-chloro-2-(4-iodo-2-methylanilino)benzamide;5-bromo-2-(2-ethyl-4-iodoanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-(pyridin-4-ylmethyl)benzamide;N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-2-(4-iodo-2-methylanilino)benzamide?

The IUPAC name of N-[2-[bis(2-hydroxyethyl)amino]ethyl]-5-bromo-2-(4-iodo-2-methylanilino)benzamide;N-[2-[bis(2-hydroxyethyl)amino]ethyl]-5-chloro-2-(4-iodo-2-methylanilino)benzamide;5-bromo-2-(2-ethyl-4-iodoanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-(pyridin-4-ylmethyl)benzamide;N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-2-(4-iodo-2-methylanilino)benzamide (CID 173277052) is N-[2-[bis(2-hydroxyethyl)amino]ethyl]-5-bromo-2-(4-iodo-2-methylanilino)benzamide;N-[2-[bis(2-hydroxyethyl)amino]ethyl]-5-chloro-2-(4-iodo-2-methylanilino)benzamide;5-bromo-2-(2-ethyl-4-iodoanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-(pyridin-4-ylmethyl)benzamide;N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-2-(4-iodo-2-methylanilino)benzamide.

What is the SMILES notation for N-[2-[bis(2-hydroxyethyl)amino]ethyl]-5-bromo-2-(4-iodo-2-methylanilino)benzamide;N-[2-[bis(2-hydroxyethyl)amino]ethyl]-5-chloro-2-(4-iodo-2-methylanilino)benzamide;5-bromo-2-(2-ethyl-4-iodoanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-(pyridin-4-ylmethyl)benzamide;N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-2-(4-iodo-2-methylanilino)benzamide?

The canonical SMILES for N-[2-[bis(2-hydroxyethyl)amino]ethyl]-5-bromo-2-(4-iodo-2-methylanilino)benzamide;N-[2-[bis(2-hydroxyethyl)amino]ethyl]-5-chloro-2-(4-iodo-2-methylanilino)benzamide;5-bromo-2-(2-ethyl-4-iodoanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-(pyridin-4-ylmethyl)benzamide;N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-2-(4-iodo-2-methylanilino)benzamide is CCc1cc(I)ccc1Nc1ccc(Br)cc1C(=O)NCCN1CCCC1.Cc1cc(I)ccc1Nc1ccc(Br)cc1C(=O)NCCN(CCO)CCO.Cc1cc(I)ccc1Nc1ccc(Cl)cc1C(=O)NCCN(CCO)CCO.Cc1cc(I)ccc1Nc1ccc(F)cc1C(=O)NCc1ccncc1.Cc1cc(I)ccc1Nc1ccccc1C(=O)NCCCN1CCN(CCO)CC1.

What is the InChIKey of N-[2-[bis(2-hydroxyethyl)amino]ethyl]-5-bromo-2-(4-iodo-2-methylanilino)benzamide;N-[2-[bis(2-hydroxyethyl)amino]ethyl]-5-chloro-2-(4-iodo-2-methylanilino)benzamide;5-bromo-2-(2-ethyl-4-iodoanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-(pyridin-4-ylmethyl)benzamide;N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-2-(4-iodo-2-methylanilino)benzamide?

The InChIKey is UTOIWRSFFUWLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31IN4O2.C21H25BrIN3O.C20H25BrIN3O3.C20H25ClIN3O3.C20H17FIN3O/c1-18-17-19(24)7-8-21(18)26-22-6-3-2-5-20(22)23(30)25-9-4-10-27-11-13-28(14-12-27)15-16-29;1-2-15-13-17(23)6-8-19(15)25-20-7-5-16(22)14-18(20)21(27)24-9-12-26-10-3-4-11-26;2*1-14-12-16(22)3-5-18(14)24-19-4-2-15(21)13-17(19)20(28)23-6-7-25(8-10-26)9-11-27;1-13-10-16(22)3-5-18(13)25-19-4-2-15(21)11-17(19)20(26)24-12-14-6-8-23-9-7-14/h2-3,5-8,17,26,29H,4,9-16H2,1H3,(H,25,30);5-8,13-14,25H,2-4,9-12H2,1H3,(H,24,27);2*2-5,12-13,24,26-27H,6-11H2,1H3,(H,23,28);2-11,25H,12H2,1H3,(H,24,26).

What are the key properties of N-[2-[bis(2-hydroxyethyl)amino]ethyl]-5-bromo-2-(4-iodo-2-methylanilino)benzamide;N-[2-[bis(2-hydroxyethyl)amino]ethyl]-5-chloro-2-(4-iodo-2-methylanilino)benzamide;5-bromo-2-(2-ethyl-4-iodoanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-(pyridin-4-ylmethyl)benzamide;N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-2-(4-iodo-2-methylanilino)benzamide?

N-[2-[bis(2-hydroxyethyl)amino]ethyl]-5-bromo-2-(4-iodo-2-methylanilino)benzamide;N-[2-[bis(2-hydroxyethyl)amino]ethyl]-5-chloro-2-(4-iodo-2-methylanilino)benzamide;5-bromo-2-(2-ethyl-4-iodoanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-(pyridin-4-ylmethyl)benzamide;N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-2-(4-iodo-2-methylanilino)benzamide has a molecular weight of 2606.01 g/mol, XLogP of 19.20, 41 rotatable bonds, 15 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[bis(2-hydroxyethyl)amino]ethyl]-5-bromo-2-(4-iodo-2-methylanilino)benzamide;N-[2-[bis(2-hydroxyethyl)amino]ethyl]-5-chloro-2-(4-iodo-2-methylanilino)benzamide;5-bromo-2-(2-ethyl-4-iodoanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-(pyridin-4-ylmethyl)benzamide;N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-2-(4-iodo-2-methylanilino)benzamide is sourced from PubChem (CID 173277052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).