5-bromo-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;N-cyclopropyl-2-(4-iodo-2-methylanilino)-5-nitrobenzamide;[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]methanol;5-fluoro-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;5-iodo-2-(4-iodo-2-methylanilino)-N-phenylmethoxybenzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-pentylbenzamide

C147H139Br2F3I9N19O17S2 — CID 173283086

IUPAC5-bromo-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;N-cyclopropyl-2-(4-iodo-2-methylanilino)-5-nitrobenzamide;[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]methanol;5-fluoro-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;5-iodo-2-(4-iodo-2-methylanilino)-N-phenylmethoxybenzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-pentylbenzamide
SMILESC=CCNC(=O)c1cc(Br)ccc1Nc1ccc(I)cc1C.C=CCNC(=O)c1cc(F)ccc1Nc1ccc(I)cc1C.CCCCCNC(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(I)cc1C.Cc1cc(I)ccc1Nc1cc(F)ccc1CO.Cc1cc(I)ccc1Nc1ccc(Br)cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1.Cc1cc(I)ccc1Nc1ccc(F)cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1.Cc1cc(I)ccc1Nc1ccc(I)cc1C(=O)NOCc1ccccc1.Cc1cc(I)ccc1Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1
InChIInChI=1S/C21H19BrIN3O3S.C21H19FIN3O3S.C21H18I2N2O2.C19H22IN3O3.C17H16BrIN2O.C17H16FIN2O.C17H16IN3O3.C14H13FINO/c2*1-13-10-16(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;1-14-11-16(22)7-9-19(14)24-20-10-8-17(23)12-18(20)21(26)25-27-13-15-5-3-2-4-6-15;1-3-4-5-10-21-19(24)16-12-15(23(25)26)7-9-18(16)22-17-8-6-14(20)11-13(17)2;2*1-3-8-20-17(22)14-10-12(18)4-6-16(14)21-15-7-5-13(19)9-11(15)2;1-10-8-11(18)2-6-15(10)20-16-7-5-13(21(23)24)9-14(16)17(22)19-12-3-4-12;1-9-6-12(16)4-5-13(9)17-14-7-11(15)3-2-10(14)8-18/h2*2-11,26H,12H2,1H3,(H,25,27)(H2,24,28,29);2-12,24H,13H2,1H3,(H,25,26);6-9,11-12,22H,3-5,10H2,1-2H3,(H,21,24);2*3-7,9-10,21H,1,8H2,2H3,(H,20,22);2,5-9,12,20H,3-4H2,1H3,(H,19,22);2-7,17-18H,8H2,1H3
InChIKeyGMPIBFLXYSIVAB-UHFFFAOYSA-N
MW3866.92 g/mol
LogP37.26
Rot. Bonds44

About 5-bromo-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;N-cyclopropyl-2-(4-iodo-2-methylanilino)-5-nitrobenzamide;[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]methanol;5-fluoro-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;5-iodo-2-(4-iodo-2-methylanilino)-N-phenylmethoxybenzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-pentylbenzamide

5-bromo-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;N-cyclopropyl-2-(4-iodo-2-methylanilino)-5-nitrobenzamide;[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]methanol;5-fluoro-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;5-iodo-2-(4-iodo-2-methylanilino)-N-phenylmethoxybenzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-pentylbenzamide (PubChem CID 173283086) has the molecular formula C147H139Br2F3I9N19O17S2 and a molecular weight of 3866.92 g/mol. Its IUPAC name is 5-bromo-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;N-cyclopropyl-2-(4-iodo-2-methylanilino)-5-nitrobenzamide;[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]methanol;5-fluoro-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;5-iodo-2-(4-iodo-2-methylanilino)-N-phenylmethoxybenzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-pentylbenzamide.

Molecular Properties

Compound Name5-bromo-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;N-cyclopropyl-2-(4-iodo-2-methylanilino)-5-nitrobenzamide;[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]methanol;5-fluoro-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;5-iodo-2-(4-iodo-2-methylanilino)-N-phenylmethoxybenzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-pentylbenzamide
PubChem CID173283086
Molecular FormulaC147H139Br2F3I9N19O17S2
Molecular Weight3866.92 g/mol
Exact Mass3862.98
IUPAC Name5-bromo-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;N-cyclopropyl-2-(4-iodo-2-methylanilino)-5-nitrobenzamide;[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]methanol;5-fluoro-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;5-iodo-2-(4-iodo-2-methylanilino)-N-phenylmethoxybenzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-pentylbenzamide
SMILESC=CCNC(=O)c1cc(Br)ccc1Nc1ccc(I)cc1C.C=CCNC(=O)c1cc(F)ccc1Nc1ccc(I)cc1C.CCCCCNC(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(I)cc1C.Cc1cc(I)ccc1Nc1cc(F)ccc1CO.Cc1cc(I)ccc1Nc1ccc(Br)cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1.Cc1cc(I)ccc1Nc1ccc(F)cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1.Cc1cc(I)ccc1Nc1ccc(I)cc1C(=O)NOCc1ccccc1.Cc1cc(I)ccc1Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1
InChIInChI=1S/C21H19BrIN3O3S.C21H19FIN3O3S.C21H18I2N2O2.C19H22IN3O3.C17H16BrIN2O.C17H16FIN2O.C17H16IN3O3.C14H13FINO/c2*1-13-10-16(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;1-14-11-16(22)7-9-19(14)24-20-10-8-17(23)12-18(20)21(26)25-27-13-15-5-3-2-4-6-15;1-3-4-5-10-21-19(24)16-12-15(23(25)26)7-9-18(16)22-17-8-6-14(20)11-13(17)2;2*1-3-8-20-17(22)14-10-12(18)4-6-16(14)21-15-7-5-13(19)9-11(15)2;1-10-8-11(18)2-6-15(10)20-16-7-5-13(21(23)24)9-14(16)17(22)19-12-3-4-12;1-9-6-12(16)4-5-13(9)17-14-7-11(15)3-2-10(14)8-18/h2*2-11,26H,12H2,1H3,(H,25,27)(H2,24,28,29);2-12,24H,13H2,1H3,(H,25,26);6-9,11-12,22H,3-5,10H2,1-2H3,(H,21,24);2*3-7,9-10,21H,1,8H2,2H3,(H,20,22);2,5-9,12,20H,3-4H2,1H3,(H,19,22);2-7,17-18H,8H2,1H3
InChIKeyGMPIBFLXYSIVAB-UHFFFAOYSA-N
XLogP37.26
TPSA536.00 Ų
H-Bond Donors18
H-Bond Acceptors25
Rotatable Bonds44
Heavy Atoms199
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003866.92
LogP ≤ 537.26
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 5-bromo-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;N-cyclopropyl-2-(4-iodo-2-methylanilino)-5-nitrobenzamide;[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]methanol;5-fluoro-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;5-iodo-2-(4-iodo-2-methylanilino)-N-phenylmethoxybenzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-pentylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;N-cyclopropyl-2-(4-iodo-2-methylanilino)-5-nitrobenzamide;[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]methanol;5-fluoro-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;5-iodo-2-(4-iodo-2-methylanilino)-N-phenylmethoxybenzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-pentylbenzamide?
The IUPAC name of 5-bromo-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;N-cyclopropyl-2-(4-iodo-2-methylanilino)-5-nitrobenzamide;[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]methanol;5-fluoro-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;5-iodo-2-(4-iodo-2-methylanilino)-N-phenylmethoxybenzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-pentylbenzamide (CID 173283086) is 5-bromo-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;N-cyclopropyl-2-(4-iodo-2-methylanilino)-5-nitrobenzamide;[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]methanol;5-fluoro-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;5-iodo-2-(4-iodo-2-methylanilino)-N-phenylmethoxybenzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-pentylbenzamide.
What is the SMILES notation for 5-bromo-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;N-cyclopropyl-2-(4-iodo-2-methylanilino)-5-nitrobenzamide;[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]methanol;5-fluoro-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;5-iodo-2-(4-iodo-2-methylanilino)-N-phenylmethoxybenzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-pentylbenzamide?
The canonical SMILES for 5-bromo-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;N-cyclopropyl-2-(4-iodo-2-methylanilino)-5-nitrobenzamide;[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]methanol;5-fluoro-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;5-iodo-2-(4-iodo-2-methylanilino)-N-phenylmethoxybenzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-pentylbenzamide is C=CCNC(=O)c1cc(Br)ccc1Nc1ccc(I)cc1C.C=CCNC(=O)c1cc(F)ccc1Nc1ccc(I)cc1C.CCCCCNC(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(I)cc1C.Cc1cc(I)ccc1Nc1cc(F)ccc1CO.Cc1cc(I)ccc1Nc1ccc(Br)cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1.Cc1cc(I)ccc1Nc1ccc(F)cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1.Cc1cc(I)ccc1Nc1ccc(I)cc1C(=O)NOCc1ccccc1.Cc1cc(I)ccc1Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1.
What is the InChIKey of 5-bromo-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;N-cyclopropyl-2-(4-iodo-2-methylanilino)-5-nitrobenzamide;[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]methanol;5-fluoro-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;5-iodo-2-(4-iodo-2-methylanilino)-N-phenylmethoxybenzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-pentylbenzamide?
The InChIKey is GMPIBFLXYSIVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrIN3O3S.C21H19FIN3O3S.C21H18I2N2O2.C19H22IN3O3.C17H16BrIN2O.C17H16FIN2O.C17H16IN3O3.C14H13FINO/c2*1-13-10-16(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;1-14-11-16(22)7-9-19(14)24-20-10-8-17(23)12-18(20)21(26)25-27-13-15-5-3-2-4-6-15;1-3-4-5-10-21-19(24)16-12-15(23(25)26)7-9-18(16)22-17-8-6-14(20)11-13(17)2;2*1-3-8-20-17(22)14-10-12(18)4-6-16(14)21-15-7-5-13(19)9-11(15)2;1-10-8-11(18)2-6-15(10)20-16-7-5-13(21(23)24)9-14(16)17(22)19-12-3-4-12;1-9-6-12(16)4-5-13(9)17-14-7-11(15)3-2-10(14)8-18/h2*2-11,26H,12H2,1H3,(H,25,27)(H2,24,28,29);2-12,24H,13H2,1H3,(H,25,26);6-9,11-12,22H,3-5,10H2,1-2H3,(H,21,24);2*3-7,9-10,21H,1,8H2,2H3,(H,20,22);2,5-9,12,20H,3-4H2,1H3,(H,19,22);2-7,17-18H,8H2,1H3.
What are the key properties of 5-bromo-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;N-cyclopropyl-2-(4-iodo-2-methylanilino)-5-nitrobenzamide;[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]methanol;5-fluoro-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;5-iodo-2-(4-iodo-2-methylanilino)-N-phenylmethoxybenzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-pentylbenzamide?
5-bromo-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;N-cyclopropyl-2-(4-iodo-2-methylanilino)-5-nitrobenzamide;[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]methanol;5-fluoro-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;5-iodo-2-(4-iodo-2-methylanilino)-N-phenylmethoxybenzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-pentylbenzamide has a molecular weight of 3866.92 g/mol, XLogP of 37.26, 44 rotatable bonds, 18 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;N-cyclopropyl-2-(4-iodo-2-methylanilino)-5-nitrobenzamide;[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]methanol;5-fluoro-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;5-iodo-2-(4-iodo-2-methylanilino)-N-phenylmethoxybenzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-pentylbenzamide is sourced from PubChem (CID 173283086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).