5-bromo-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;N-cyclopropyl-5-fluoro-2-(4-iodo-2-methylanilino)benzamide;5-fluoro-N-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)benzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;N-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)-5-nitrobenzamide

C87H83BrF3I5N12O11S — CID 173276777

About 5-bromo-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;N-cyclopropyl-5-fluoro-2-(4-iodo-2-methylanilino)benzamide;5-fluoro-N-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)benzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;N-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)-5-nitrobenzamide

5-bromo-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;N-cyclopropyl-5-fluoro-2-(4-iodo-2-methylanilino)benzamide;5-fluoro-N-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)benzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;N-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)-5-nitrobenzamide (PubChem CID 173276777) has the molecular formula C87H83BrF3I5N12O11S and a molecular weight of 2276.18 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;N-cyclopropyl-5-fluoro-2-(4-iodo-2-methylanilino)benzamide;5-fluoro-N-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)benzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;N-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)-5-nitrobenzamide.

Molecular Properties

• Compound Name: 5-bromo-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;N-cyclopropyl-5-fluoro-2-(4-iodo-2-methylanilino)benzamide;5-fluoro-N-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)benzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;N-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)-5-nitrobenzamide
• PubChem CID: 173276777
• Molecular Formula: C87H83BrF3I5N12O11S
• Molecular Weight: 2276.18 g/mol
• Exact Mass: 2274.04
• IUPAC Name: 5-bromo-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;N-cyclopropyl-5-fluoro-2-(4-iodo-2-methylanilino)benzamide;5-fluoro-N-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)benzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;N-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)-5-nitrobenzamide
• SMILES: Cc1cc(I)ccc1Nc1ccc(Br)cc1C(=O)NC1CC1.Cc1cc(I)ccc1Nc1ccc(F)cc1C(=O)NC1CC1.Cc1cc(I)ccc1Nc1ccc(F)cc1C(=O)NCCO.Cc1cc(I)ccc1Nc1ccc(F)cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1.Cc1cc(I)ccc1Nc1ccc([N+](=O)[O-])cc1C(=O)NCCO
• InChI: InChI=1S/C21H19FIN3O3S.C17H16BrIN2O.C17H16FIN2O.C16H16FIN2O2.C16H16IN3O4/c1-13-10-16(23)5-9-19(13)26-20-8-4-15(22)11-18(20)21(27)25-12-14-2-6-17(7-3-14)30(24,28)29;2*1-10-8-12(19)3-7-15(10)21-16-6-2-11(18)9-14(16)17(22)20-13-4-5-13;1-10-8-12(18)3-5-14(10)20-15-4-2-11(17)9-13(15)16(22)19-6-7-21;1-10-8-11(17)2-4-14(10)19-15-5-3-12(20(23)24)9-13(15)16(22)18-6-7-21/h2-11,26H,12H2,1H3,(H,25,27)(H2,24,28,29);2*2-3,6-9,13,21H,4-5H2,1H3,(H,20,22);2-5,8-9,20-21H,6-7H2,1H3,(H,19,22);2-5,8-9,19,21H,6-7H2,1H3,(H,18,22)
• InChIKey: YECRXIZQWVUEMR-UHFFFAOYSA-N
• XLogP: 19.61
• TPSA: 349.41 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 16
• Rotatable Bonds: 25
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2276.18
LogP ≤ 5	19.61
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;N-cyclopropyl-5-fluoro-2-(4-iodo-2-methylanilino)benzamide;5-fluoro-N-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)benzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;N-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)-5-nitrobenzamide?

The IUPAC name of 5-bromo-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;N-cyclopropyl-5-fluoro-2-(4-iodo-2-methylanilino)benzamide;5-fluoro-N-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)benzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;N-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)-5-nitrobenzamide (CID 173276777) is 5-bromo-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;N-cyclopropyl-5-fluoro-2-(4-iodo-2-methylanilino)benzamide;5-fluoro-N-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)benzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;N-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)-5-nitrobenzamide.

What is the SMILES notation for 5-bromo-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;N-cyclopropyl-5-fluoro-2-(4-iodo-2-methylanilino)benzamide;5-fluoro-N-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)benzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;N-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)-5-nitrobenzamide?

The canonical SMILES for 5-bromo-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;N-cyclopropyl-5-fluoro-2-(4-iodo-2-methylanilino)benzamide;5-fluoro-N-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)benzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;N-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)-5-nitrobenzamide is Cc1cc(I)ccc1Nc1ccc(Br)cc1C(=O)NC1CC1.Cc1cc(I)ccc1Nc1ccc(F)cc1C(=O)NC1CC1.Cc1cc(I)ccc1Nc1ccc(F)cc1C(=O)NCCO.Cc1cc(I)ccc1Nc1ccc(F)cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1.Cc1cc(I)ccc1Nc1ccc([N+](=O)[O-])cc1C(=O)NCCO.

What is the InChIKey of 5-bromo-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;N-cyclopropyl-5-fluoro-2-(4-iodo-2-methylanilino)benzamide;5-fluoro-N-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)benzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;N-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)-5-nitrobenzamide?

The InChIKey is YECRXIZQWVUEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FIN3O3S.C17H16BrIN2O.C17H16FIN2O.C16H16FIN2O2.C16H16IN3O4/c1-13-10-16(23)5-9-19(13)26-20-8-4-15(22)11-18(20)21(27)25-12-14-2-6-17(7-3-14)30(24,28)29;2*1-10-8-12(19)3-7-15(10)21-16-6-2-11(18)9-14(16)17(22)20-13-4-5-13;1-10-8-12(18)3-5-14(10)20-15-4-2-11(17)9-13(15)16(22)19-6-7-21;1-10-8-11(17)2-4-14(10)19-15-5-3-12(20(23)24)9-13(15)16(22)18-6-7-21/h2-11,26H,12H2,1H3,(H,25,27)(H2,24,28,29);2*2-3,6-9,13,21H,4-5H2,1H3,(H,20,22);2-5,8-9,20-21H,6-7H2,1H3,(H,19,22);2-5,8-9,19,21H,6-7H2,1H3,(H,18,22).

What are the key properties of 5-bromo-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;N-cyclopropyl-5-fluoro-2-(4-iodo-2-methylanilino)benzamide;5-fluoro-N-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)benzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;N-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)-5-nitrobenzamide?

5-bromo-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;N-cyclopropyl-5-fluoro-2-(4-iodo-2-methylanilino)benzamide;5-fluoro-N-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)benzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;N-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)-5-nitrobenzamide has a molecular weight of 2276.18 g/mol, XLogP of 19.61, 25 rotatable bonds, 13 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;N-cyclopropyl-5-fluoro-2-(4-iodo-2-methylanilino)benzamide;5-fluoro-N-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)benzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;N-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)-5-nitrobenzamide is sourced from PubChem (CID 173276777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).