5-bromo-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;5-chloro-2-(4-iodo-2-methylanilino)-N-methyl-N-phenylbenzamide;5-chloro-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;N-cyclopropyl-5-iodo-2-(4-iodo-2-methylanilino)benzamide;N-cyclopropyl-2-(4-iodo-2-methylanilino)-5-nitrobenzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(3-methylphenyl)methyl]benzamide;5-iodo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-prop-2-enylbenzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-[(4-sulfamoylphenyl)methyl]benzamide

C208H191Br3Cl2FI13N28O23S3 — CID 173283701

IUPAC5-bromo-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;5-chloro-2-(4-iodo-2-methylanilino)-N-methyl-N-phenylbenzamide;5-chloro-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;N-cyclopropyl-5-iodo-2-(4-iodo-2-methylanilino)benzamide;N-cyclopropyl-2-(4-iodo-2-methylanilino)-5-nitrobenzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(3-methylphenyl)methyl]benzamide;5-iodo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-prop-2-enylbenzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESC=CCNC(=O)c1cc(Br)ccc1Nc1ccc(I)cc1C.C=CCNC(=O)c1cc(Cl)ccc1Nc1ccc(I)cc1C.C=CCNC(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(I)cc1C.Cc1cc(I)ccc1Nc1ccc(Br)cc1C(=O)NC1CC1.Cc1cc(I)ccc1Nc1ccc(Br)cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1.Cc1cc(I)ccc1Nc1ccc(Cl)cc1C(=O)N(C)c1ccccc1.Cc1cc(I)ccc1Nc1ccc(I)cc1C(=O)NC1CC1.Cc1cc(I)ccc1Nc1ccc(I)cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1.Cc1cc(I)ccc1Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1.Cc1cc(I)ccc1Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1.Cc1cccc(CNC(=O)c2cc(F)ccc2Nc2ccc(I)cc2C)c1
InChIInChI=1S/C22H20FIN2O.C21H19BrIN3O3S.C21H18ClIN2O.C21H19I2N3O3S.C21H19IN4O5S.2C17H16BrIN2O.C17H16ClIN2O.C17H16I2N2O.2C17H16IN3O3/c1-14-4-3-5-16(10-14)13-25-22(27)19-12-17(23)6-8-21(19)26-20-9-7-18(24)11-15(20)2;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;1-14-12-16(23)9-11-19(14)24-20-10-8-15(22)13-18(20)21(26)25(2)17-6-4-3-5-7-17;1-13-10-15(22)4-8-19(13)26-20-9-5-16(23)11-18(20)21(27)25-12-14-2-6-17(7-3-14)30(24,28)29;1-13-10-15(22)4-8-19(13)25-20-9-5-16(26(28)29)11-18(20)21(27)24-12-14-2-6-17(7-3-14)32(23,30)31;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;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)21-16-7-3-12(19)9-14(16)17(22)20-13-4-5-13;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;1-3-8-19-17(22)14-10-13(21(23)24)5-7-16(14)20-15-6-4-12(18)9-11(15)2/h3-12,26H,13H2,1-2H3,(H,25,27);2-11,26H,12H2,1H3,(H,25,27)(H2,24,28,29);3-13,24H,1-2H3;2-11,26H,12H2,1H3,(H,25,27)(H2,24,28,29);2-11,25H,12H2,1H3,(H,24,27)(H2,23,30,31);2-3,6-9,13,21H,4-5H2,1H3,(H,20,22);2*3-7,9-10,21H,1,8H2,2H3,(H,20,22);2-3,6-9,13,21H,4-5H2,1H3,(H,20,22);2,5-9,12,20H,3-4H2,1H3,(H,19,22);3-7,9-10,20H,1,8H2,2H3,(H,19,22)
InChIKeyFLLATJHQQIQNDO-UHFFFAOYSA-N
MW5526.56 g/mol
LogP53.11
Rot. Bonds57

About 5-bromo-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;5-chloro-2-(4-iodo-2-methylanilino)-N-methyl-N-phenylbenzamide;5-chloro-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;N-cyclopropyl-5-iodo-2-(4-iodo-2-methylanilino)benzamide;N-cyclopropyl-2-(4-iodo-2-methylanilino)-5-nitrobenzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(3-methylphenyl)methyl]benzamide;5-iodo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-prop-2-enylbenzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-[(4-sulfamoylphenyl)methyl]benzamide

5-bromo-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;5-chloro-2-(4-iodo-2-methylanilino)-N-methyl-N-phenylbenzamide;5-chloro-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;N-cyclopropyl-5-iodo-2-(4-iodo-2-methylanilino)benzamide;N-cyclopropyl-2-(4-iodo-2-methylanilino)-5-nitrobenzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(3-methylphenyl)methyl]benzamide;5-iodo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-prop-2-enylbenzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-[(4-sulfamoylphenyl)methyl]benzamide (PubChem CID 173283701) has the molecular formula C208H191Br3Cl2FI13N28O23S3 and a molecular weight of 5526.56 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;5-chloro-2-(4-iodo-2-methylanilino)-N-methyl-N-phenylbenzamide;5-chloro-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;N-cyclopropyl-5-iodo-2-(4-iodo-2-methylanilino)benzamide;N-cyclopropyl-2-(4-iodo-2-methylanilino)-5-nitrobenzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(3-methylphenyl)methyl]benzamide;5-iodo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-prop-2-enylbenzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-[(4-sulfamoylphenyl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;5-chloro-2-(4-iodo-2-methylanilino)-N-methyl-N-phenylbenzamide;5-chloro-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;N-cyclopropyl-5-iodo-2-(4-iodo-2-methylanilino)benzamide;N-cyclopropyl-2-(4-iodo-2-methylanilino)-5-nitrobenzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(3-methylphenyl)methyl]benzamide;5-iodo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-prop-2-enylbenzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-[(4-sulfamoylphenyl)methyl]benzamide
PubChem CID173283701
Molecular FormulaC208H191Br3Cl2FI13N28O23S3
Molecular Weight5526.56 g/mol
Exact Mass5519.83
IUPAC Name5-bromo-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;5-chloro-2-(4-iodo-2-methylanilino)-N-methyl-N-phenylbenzamide;5-chloro-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;N-cyclopropyl-5-iodo-2-(4-iodo-2-methylanilino)benzamide;N-cyclopropyl-2-(4-iodo-2-methylanilino)-5-nitrobenzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(3-methylphenyl)methyl]benzamide;5-iodo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-prop-2-enylbenzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESC=CCNC(=O)c1cc(Br)ccc1Nc1ccc(I)cc1C.C=CCNC(=O)c1cc(Cl)ccc1Nc1ccc(I)cc1C.C=CCNC(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(I)cc1C.Cc1cc(I)ccc1Nc1ccc(Br)cc1C(=O)NC1CC1.Cc1cc(I)ccc1Nc1ccc(Br)cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1.Cc1cc(I)ccc1Nc1ccc(Cl)cc1C(=O)N(C)c1ccccc1.Cc1cc(I)ccc1Nc1ccc(I)cc1C(=O)NC1CC1.Cc1cc(I)ccc1Nc1ccc(I)cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1.Cc1cc(I)ccc1Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1.Cc1cc(I)ccc1Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1.Cc1cccc(CNC(=O)c2cc(F)ccc2Nc2ccc(I)cc2C)c1
InChIInChI=1S/C22H20FIN2O.C21H19BrIN3O3S.C21H18ClIN2O.C21H19I2N3O3S.C21H19IN4O5S.2C17H16BrIN2O.C17H16ClIN2O.C17H16I2N2O.2C17H16IN3O3/c1-14-4-3-5-16(10-14)13-25-22(27)19-12-17(23)6-8-21(19)26-20-9-7-18(24)11-15(20)2;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;1-14-12-16(23)9-11-19(14)24-20-10-8-15(22)13-18(20)21(26)25(2)17-6-4-3-5-7-17;1-13-10-15(22)4-8-19(13)26-20-9-5-16(23)11-18(20)21(27)25-12-14-2-6-17(7-3-14)30(24,28)29;1-13-10-15(22)4-8-19(13)25-20-9-5-16(26(28)29)11-18(20)21(27)24-12-14-2-6-17(7-3-14)32(23,30)31;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;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)21-16-7-3-12(19)9-14(16)17(22)20-13-4-5-13;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;1-3-8-19-17(22)14-10-13(21(23)24)5-7-16(14)20-15-6-4-12(18)9-11(15)2/h3-12,26H,13H2,1-2H3,(H,25,27);2-11,26H,12H2,1H3,(H,25,27)(H2,24,28,29);3-13,24H,1-2H3;2-11,26H,12H2,1H3,(H,25,27)(H2,24,28,29);2-11,25H,12H2,1H3,(H,24,27)(H2,23,30,31);2-3,6-9,13,21H,4-5H2,1H3,(H,20,22);2*3-7,9-10,21H,1,8H2,2H3,(H,20,22);2-3,6-9,13,21H,4-5H2,1H3,(H,20,22);2,5-9,12,20H,3-4H2,1H3,(H,19,22);3-7,9-10,20H,1,8H2,2H3,(H,19,22)
InChIKeyFLLATJHQQIQNDO-UHFFFAOYSA-N
XLogP53.11
TPSA753.54 Ų
H-Bond Donors24
H-Bond Acceptors34
Rotatable Bonds57
Heavy Atoms281
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005526.56
LogP ≤ 553.11
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'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-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;5-chloro-2-(4-iodo-2-methylanilino)-N-methyl-N-phenylbenzamide;5-chloro-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;N-cyclopropyl-5-iodo-2-(4-iodo-2-methylanilino)benzamide;N-cyclopropyl-2-(4-iodo-2-methylanilino)-5-nitrobenzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(3-methylphenyl)methyl]benzamide;5-iodo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-prop-2-enylbenzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-[(4-sulfamoylphenyl)methyl]benzamide with MolForge

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Related Compounds

5-bromo-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;5-chloro-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;5-chloro-2-(4-iodo-2-methylanilino)-N-methyl-N-phenylbenzamide;5-chloro-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;N-cyclopropyl-2-(4-iodo-2-methylanilino)-5-nitrobenzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-methyl-N-phenylbenzamide;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
CID 173276290
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
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
5-bromo-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;5-fluoro-N-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)benzamide
CID 159834623
N-benzyl-4-fluoro-2-(4-iodo-2-methylanilino)benzamide
CID 10173887
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
2-(benzylamino)-N-[(4-fluorophenyl)methyl]-5-nitrobenzamide
CID 7551323
2-(benzylamino)-N-[(4-chlorophenyl)methyl]-5-nitrobenzamide
CID 3296543
5-(cyclopropylsulfamoyl)-2-methyl-N-[(4-nitrophenyl)methyl]benzamide
CID 55945412
N-benzyl-5-iodo-2-[(4-nitrobenzoyl)amino]benzamide
CID 66556358
2-methyl-N-[2-(3-methylphenyl)ethyl]-5-nitrobenzamide
CID 60611649
5-bromo-N-[2-(diethylamino)ethyl]-2-(4-iodo-2-methylanilino)benzamide
CID 22226090

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;5-chloro-2-(4-iodo-2-methylanilino)-N-methyl-N-phenylbenzamide;5-chloro-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;N-cyclopropyl-5-iodo-2-(4-iodo-2-methylanilino)benzamide;N-cyclopropyl-2-(4-iodo-2-methylanilino)-5-nitrobenzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(3-methylphenyl)methyl]benzamide;5-iodo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-prop-2-enylbenzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-[(4-sulfamoylphenyl)methyl]benzamide?
The IUPAC name of 5-bromo-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;5-chloro-2-(4-iodo-2-methylanilino)-N-methyl-N-phenylbenzamide;5-chloro-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;N-cyclopropyl-5-iodo-2-(4-iodo-2-methylanilino)benzamide;N-cyclopropyl-2-(4-iodo-2-methylanilino)-5-nitrobenzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(3-methylphenyl)methyl]benzamide;5-iodo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-prop-2-enylbenzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-[(4-sulfamoylphenyl)methyl]benzamide (CID 173283701) is 5-bromo-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;5-chloro-2-(4-iodo-2-methylanilino)-N-methyl-N-phenylbenzamide;5-chloro-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;N-cyclopropyl-5-iodo-2-(4-iodo-2-methylanilino)benzamide;N-cyclopropyl-2-(4-iodo-2-methylanilino)-5-nitrobenzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(3-methylphenyl)methyl]benzamide;5-iodo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-prop-2-enylbenzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-[(4-sulfamoylphenyl)methyl]benzamide.
What is the SMILES notation for 5-bromo-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;5-chloro-2-(4-iodo-2-methylanilino)-N-methyl-N-phenylbenzamide;5-chloro-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;N-cyclopropyl-5-iodo-2-(4-iodo-2-methylanilino)benzamide;N-cyclopropyl-2-(4-iodo-2-methylanilino)-5-nitrobenzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(3-methylphenyl)methyl]benzamide;5-iodo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-prop-2-enylbenzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-[(4-sulfamoylphenyl)methyl]benzamide?
The canonical SMILES for 5-bromo-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;5-chloro-2-(4-iodo-2-methylanilino)-N-methyl-N-phenylbenzamide;5-chloro-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;N-cyclopropyl-5-iodo-2-(4-iodo-2-methylanilino)benzamide;N-cyclopropyl-2-(4-iodo-2-methylanilino)-5-nitrobenzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(3-methylphenyl)methyl]benzamide;5-iodo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-prop-2-enylbenzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-[(4-sulfamoylphenyl)methyl]benzamide is C=CCNC(=O)c1cc(Br)ccc1Nc1ccc(I)cc1C.C=CCNC(=O)c1cc(Cl)ccc1Nc1ccc(I)cc1C.C=CCNC(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(I)cc1C.Cc1cc(I)ccc1Nc1ccc(Br)cc1C(=O)NC1CC1.Cc1cc(I)ccc1Nc1ccc(Br)cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1.Cc1cc(I)ccc1Nc1ccc(Cl)cc1C(=O)N(C)c1ccccc1.Cc1cc(I)ccc1Nc1ccc(I)cc1C(=O)NC1CC1.Cc1cc(I)ccc1Nc1ccc(I)cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1.Cc1cc(I)ccc1Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1.Cc1cc(I)ccc1Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1.Cc1cccc(CNC(=O)c2cc(F)ccc2Nc2ccc(I)cc2C)c1.
What is the InChIKey of 5-bromo-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;5-chloro-2-(4-iodo-2-methylanilino)-N-methyl-N-phenylbenzamide;5-chloro-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;N-cyclopropyl-5-iodo-2-(4-iodo-2-methylanilino)benzamide;N-cyclopropyl-2-(4-iodo-2-methylanilino)-5-nitrobenzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(3-methylphenyl)methyl]benzamide;5-iodo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-prop-2-enylbenzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-[(4-sulfamoylphenyl)methyl]benzamide?
The InChIKey is FLLATJHQQIQNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FIN2O.C21H19BrIN3O3S.C21H18ClIN2O.C21H19I2N3O3S.C21H19IN4O5S.2C17H16BrIN2O.C17H16ClIN2O.C17H16I2N2O.2C17H16IN3O3/c1-14-4-3-5-16(10-14)13-25-22(27)19-12-17(23)6-8-21(19)26-20-9-7-18(24)11-15(20)2;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;1-14-12-16(23)9-11-19(14)24-20-10-8-15(22)13-18(20)21(26)25(2)17-6-4-3-5-7-17;1-13-10-15(22)4-8-19(13)26-20-9-5-16(23)11-18(20)21(27)25-12-14-2-6-17(7-3-14)30(24,28)29;1-13-10-15(22)4-8-19(13)25-20-9-5-16(26(28)29)11-18(20)21(27)24-12-14-2-6-17(7-3-14)32(23,30)31;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;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)21-16-7-3-12(19)9-14(16)17(22)20-13-4-5-13;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;1-3-8-19-17(22)14-10-13(21(23)24)5-7-16(14)20-15-6-4-12(18)9-11(15)2/h3-12,26H,13H2,1-2H3,(H,25,27);2-11,26H,12H2,1H3,(H,25,27)(H2,24,28,29);3-13,24H,1-2H3;2-11,26H,12H2,1H3,(H,25,27)(H2,24,28,29);2-11,25H,12H2,1H3,(H,24,27)(H2,23,30,31);2-3,6-9,13,21H,4-5H2,1H3,(H,20,22);2*3-7,9-10,21H,1,8H2,2H3,(H,20,22);2-3,6-9,13,21H,4-5H2,1H3,(H,20,22);2,5-9,12,20H,3-4H2,1H3,(H,19,22);3-7,9-10,20H,1,8H2,2H3,(H,19,22).
What are the key properties of 5-bromo-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;5-chloro-2-(4-iodo-2-methylanilino)-N-methyl-N-phenylbenzamide;5-chloro-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;N-cyclopropyl-5-iodo-2-(4-iodo-2-methylanilino)benzamide;N-cyclopropyl-2-(4-iodo-2-methylanilino)-5-nitrobenzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(3-methylphenyl)methyl]benzamide;5-iodo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-prop-2-enylbenzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-[(4-sulfamoylphenyl)methyl]benzamide?
5-bromo-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;5-chloro-2-(4-iodo-2-methylanilino)-N-methyl-N-phenylbenzamide;5-chloro-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;N-cyclopropyl-5-iodo-2-(4-iodo-2-methylanilino)benzamide;N-cyclopropyl-2-(4-iodo-2-methylanilino)-5-nitrobenzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(3-methylphenyl)methyl]benzamide;5-iodo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-prop-2-enylbenzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-[(4-sulfamoylphenyl)methyl]benzamide has a molecular weight of 5526.56 g/mol, XLogP of 53.11, 57 rotatable bonds, 24 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;5-bromo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;5-chloro-2-(4-iodo-2-methylanilino)-N-methyl-N-phenylbenzamide;5-chloro-2-(4-iodo-2-methylanilino)-N-prop-2-enylbenzamide;N-cyclopropyl-5-iodo-2-(4-iodo-2-methylanilino)benzamide;N-cyclopropyl-2-(4-iodo-2-methylanilino)-5-nitrobenzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-[(3-methylphenyl)methyl]benzamide;5-iodo-2-(4-iodo-2-methylanilino)-N-[(4-sulfamoylphenyl)methyl]benzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-prop-2-enylbenzamide;2-(4-iodo-2-methylanilino)-5-nitro-N-[(4-sulfamoylphenyl)methyl]benzamide is sourced from PubChem (CID 173283701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).