3-[N-[4-[(2-aminophenyl)carbamoyl]phenyl]-C-methylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxylic acid;N-(2-aminophenyl)-4-[1-(2-hydroxy-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethoxy)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]ethylideneamino]benzamide;methyl 2-hydroxy-3-[C-methyl-N-[4-(methylcarbamoyl)phenyl]carbonimidoyl]-1H-indole-5-carboxylate

C115H97F6N19O15 — CID 137045493

IUPAC3-[N-[4-[(2-aminophenyl)carbamoyl]phenyl]-C-methylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxylic acid;N-(2-aminophenyl)-4-[1-(2-hydroxy-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethoxy)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]ethylideneamino]benzamide;methyl 2-hydroxy-3-[C-methyl-N-[4-(methylcarbamoyl)phenyl]carbonimidoyl]-1H-indole-5-carboxylate
SMILESC/C(=N\c1ccc(C(=O)Nc2ccccc2N)cc1)c1c(O)[nH]c2ccc(C(=O)O)cc12.C/C(=N\c1ccc(C(=O)Nc2ccccc2N)cc1)c1c(O)[nH]c2ccc(C(F)(F)F)cc12.C/C(=N\c1ccc(C(=O)Nc2ccccc2N)cc1)c1c(O)[nH]c2ccc(OC(F)(F)F)cc12.C/C(=N\c1ccc(C(=O)Nc2ccccc2N)cc1)c1c(O)[nH]c2ccccc12.CNC(=O)c1ccc(/N=C(\C)c2c(O)[nH]c3ccc(C(=O)OC)cc23)cc1
InChIInChI=1S/C24H19F3N4O3.C24H19F3N4O2.C24H20N4O4.C23H20N4O2.C20H19N3O4/c1-13(21-17-12-16(34-24(25,26)27)10-11-19(17)30-23(21)33)29-15-8-6-14(7-9-15)22(32)31-20-5-3-2-4-18(20)28;1-13(21-17-12-15(24(25,26)27)8-11-19(17)30-23(21)33)29-16-9-6-14(7-10-16)22(32)31-20-5-3-2-4-18(20)28;1-13(21-17-12-15(24(31)32)8-11-19(17)27-23(21)30)26-16-9-6-14(7-10-16)22(29)28-20-5-3-2-4-18(20)25;1-14(21-17-6-2-4-8-19(17)26-23(21)29)25-16-12-10-15(11-13-16)22(28)27-20-9-5-3-7-18(20)24;1-11(22-14-7-4-12(5-8-14)18(24)21-2)17-15-10-13(20(26)27-3)6-9-16(15)23-19(17)25/h2-12,30,33H,28H2,1H3,(H,31,32);2-12,30,33H,28H2,1H3,(H,31,32);2-12,27,30H,25H2,1H3,(H,28,29)(H,31,32);2-13,26,29H,24H2,1H3,(H,27,28);4-10,23,25H,1-3H3,(H,21,24)/b2*29-13+;26-13+;25-14+;22-11+
InChIKeyKCUOFTQRLAHYPN-XJTIIXDZSA-N
MW2099.15 g/mol
LogP24.17
Rot. Bonds22

About 3-[N-[4-[(2-aminophenyl)carbamoyl]phenyl]-C-methylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxylic acid;N-(2-aminophenyl)-4-[1-(2-hydroxy-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethoxy)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]ethylideneamino]benzamide;methyl 2-hydroxy-3-[C-methyl-N-[4-(methylcarbamoyl)phenyl]carbonimidoyl]-1H-indole-5-carboxylate

3-[N-[4-[(2-aminophenyl)carbamoyl]phenyl]-C-methylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxylic acid;N-(2-aminophenyl)-4-[1-(2-hydroxy-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethoxy)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]ethylideneamino]benzamide;methyl 2-hydroxy-3-[C-methyl-N-[4-(methylcarbamoyl)phenyl]carbonimidoyl]-1H-indole-5-carboxylate (PubChem CID 137045493) has the molecular formula C115H97F6N19O15 and a molecular weight of 2099.15 g/mol. Its IUPAC name is 3-[N-[4-[(2-aminophenyl)carbamoyl]phenyl]-C-methylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxylic acid;N-(2-aminophenyl)-4-[1-(2-hydroxy-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethoxy)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]ethylideneamino]benzamide;methyl 2-hydroxy-3-[C-methyl-N-[4-(methylcarbamoyl)phenyl]carbonimidoyl]-1H-indole-5-carboxylate.

Molecular Properties

Compound Name3-[N-[4-[(2-aminophenyl)carbamoyl]phenyl]-C-methylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxylic acid;N-(2-aminophenyl)-4-[1-(2-hydroxy-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethoxy)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]ethylideneamino]benzamide;methyl 2-hydroxy-3-[C-methyl-N-[4-(methylcarbamoyl)phenyl]carbonimidoyl]-1H-indole-5-carboxylate
PubChem CID137045493
Molecular FormulaC115H97F6N19O15
Molecular Weight2099.15 g/mol
Exact Mass2097.73
IUPAC Name3-[N-[4-[(2-aminophenyl)carbamoyl]phenyl]-C-methylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxylic acid;N-(2-aminophenyl)-4-[1-(2-hydroxy-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethoxy)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]ethylideneamino]benzamide;methyl 2-hydroxy-3-[C-methyl-N-[4-(methylcarbamoyl)phenyl]carbonimidoyl]-1H-indole-5-carboxylate
SMILESC/C(=N\c1ccc(C(=O)Nc2ccccc2N)cc1)c1c(O)[nH]c2ccc(C(=O)O)cc12.C/C(=N\c1ccc(C(=O)Nc2ccccc2N)cc1)c1c(O)[nH]c2ccc(C(F)(F)F)cc12.C/C(=N\c1ccc(C(=O)Nc2ccccc2N)cc1)c1c(O)[nH]c2ccc(OC(F)(F)F)cc12.C/C(=N\c1ccc(C(=O)Nc2ccccc2N)cc1)c1c(O)[nH]c2ccccc12.CNC(=O)c1ccc(/N=C(\C)c2c(O)[nH]c3ccc(C(=O)OC)cc23)cc1
InChIInChI=1S/C24H19F3N4O3.C24H19F3N4O2.C24H20N4O4.C23H20N4O2.C20H19N3O4/c1-13(21-17-12-16(34-24(25,26)27)10-11-19(17)30-23(21)33)29-15-8-6-14(7-9-15)22(32)31-20-5-3-2-4-18(20)28;1-13(21-17-12-15(24(25,26)27)8-11-19(17)30-23(21)33)29-16-9-6-14(7-10-16)22(32)31-20-5-3-2-4-18(20)28;1-13(21-17-12-15(24(31)32)8-11-19(17)27-23(21)30)26-16-9-6-14(7-10-16)22(29)28-20-5-3-2-4-18(20)25;1-14(21-17-6-2-4-8-19(17)26-23(21)29)25-16-12-10-15(11-13-16)22(28)27-20-9-5-3-7-18(20)24;1-11(22-14-7-4-12(5-8-14)18(24)21-2)17-15-10-13(20(26)27-3)6-9-16(15)23-19(17)25/h2-12,30,33H,28H2,1H3,(H,31,32);2-12,30,33H,28H2,1H3,(H,31,32);2-12,27,30H,25H2,1H3,(H,28,29)(H,31,32);2-13,26,29H,24H2,1H3,(H,27,28);4-10,23,25H,1-3H3,(H,21,24)/b2*29-13+;26-13+;25-14+;22-11+
InChIKeyKCUOFTQRLAHYPN-XJTIIXDZSA-N
XLogP24.17
TPSA564.31 Ų
H-Bond Donors20
H-Bond Acceptors23
Rotatable Bonds22
Heavy Atoms155
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002099.15
LogP ≤ 524.17
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-[N-[4-[(2-aminophenyl)carbamoyl]phenyl]-C-methylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxylic acid;N-(2-aminophenyl)-4-[1-(2-hydroxy-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethoxy)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]ethylideneamino]benzamide;methyl 2-hydroxy-3-[C-methyl-N-[4-(methylcarbamoyl)phenyl]carbonimidoyl]-1H-indole-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[N-[4-[(2-aminophenyl)carbamoyl]phenyl]-C-methylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxylic acid;N-(2-aminophenyl)-4-[1-(2-hydroxy-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethoxy)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]ethylideneamino]benzamide;methyl 2-hydroxy-3-[C-methyl-N-[4-(methylcarbamoyl)phenyl]carbonimidoyl]-1H-indole-5-carboxylate?
The IUPAC name of 3-[N-[4-[(2-aminophenyl)carbamoyl]phenyl]-C-methylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxylic acid;N-(2-aminophenyl)-4-[1-(2-hydroxy-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethoxy)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]ethylideneamino]benzamide;methyl 2-hydroxy-3-[C-methyl-N-[4-(methylcarbamoyl)phenyl]carbonimidoyl]-1H-indole-5-carboxylate (CID 137045493) is 3-[N-[4-[(2-aminophenyl)carbamoyl]phenyl]-C-methylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxylic acid;N-(2-aminophenyl)-4-[1-(2-hydroxy-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethoxy)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]ethylideneamino]benzamide;methyl 2-hydroxy-3-[C-methyl-N-[4-(methylcarbamoyl)phenyl]carbonimidoyl]-1H-indole-5-carboxylate.
What is the SMILES notation for 3-[N-[4-[(2-aminophenyl)carbamoyl]phenyl]-C-methylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxylic acid;N-(2-aminophenyl)-4-[1-(2-hydroxy-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethoxy)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]ethylideneamino]benzamide;methyl 2-hydroxy-3-[C-methyl-N-[4-(methylcarbamoyl)phenyl]carbonimidoyl]-1H-indole-5-carboxylate?
The canonical SMILES for 3-[N-[4-[(2-aminophenyl)carbamoyl]phenyl]-C-methylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxylic acid;N-(2-aminophenyl)-4-[1-(2-hydroxy-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethoxy)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]ethylideneamino]benzamide;methyl 2-hydroxy-3-[C-methyl-N-[4-(methylcarbamoyl)phenyl]carbonimidoyl]-1H-indole-5-carboxylate is C/C(=N\c1ccc(C(=O)Nc2ccccc2N)cc1)c1c(O)[nH]c2ccc(C(=O)O)cc12.C/C(=N\c1ccc(C(=O)Nc2ccccc2N)cc1)c1c(O)[nH]c2ccc(C(F)(F)F)cc12.C/C(=N\c1ccc(C(=O)Nc2ccccc2N)cc1)c1c(O)[nH]c2ccc(OC(F)(F)F)cc12.C/C(=N\c1ccc(C(=O)Nc2ccccc2N)cc1)c1c(O)[nH]c2ccccc12.CNC(=O)c1ccc(/N=C(\C)c2c(O)[nH]c3ccc(C(=O)OC)cc23)cc1.
What is the InChIKey of 3-[N-[4-[(2-aminophenyl)carbamoyl]phenyl]-C-methylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxylic acid;N-(2-aminophenyl)-4-[1-(2-hydroxy-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethoxy)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]ethylideneamino]benzamide;methyl 2-hydroxy-3-[C-methyl-N-[4-(methylcarbamoyl)phenyl]carbonimidoyl]-1H-indole-5-carboxylate?
The InChIKey is KCUOFTQRLAHYPN-XJTIIXDZSA-N. The full InChI is InChI=1S/C24H19F3N4O3.C24H19F3N4O2.C24H20N4O4.C23H20N4O2.C20H19N3O4/c1-13(21-17-12-16(34-24(25,26)27)10-11-19(17)30-23(21)33)29-15-8-6-14(7-9-15)22(32)31-20-5-3-2-4-18(20)28;1-13(21-17-12-15(24(25,26)27)8-11-19(17)30-23(21)33)29-16-9-6-14(7-10-16)22(32)31-20-5-3-2-4-18(20)28;1-13(21-17-12-15(24(31)32)8-11-19(17)27-23(21)30)26-16-9-6-14(7-10-16)22(29)28-20-5-3-2-4-18(20)25;1-14(21-17-6-2-4-8-19(17)26-23(21)29)25-16-12-10-15(11-13-16)22(28)27-20-9-5-3-7-18(20)24;1-11(22-14-7-4-12(5-8-14)18(24)21-2)17-15-10-13(20(26)27-3)6-9-16(15)23-19(17)25/h2-12,30,33H,28H2,1H3,(H,31,32);2-12,30,33H,28H2,1H3,(H,31,32);2-12,27,30H,25H2,1H3,(H,28,29)(H,31,32);2-13,26,29H,24H2,1H3,(H,27,28);4-10,23,25H,1-3H3,(H,21,24)/b2*29-13+;26-13+;25-14+;22-11+.
What are the key properties of 3-[N-[4-[(2-aminophenyl)carbamoyl]phenyl]-C-methylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxylic acid;N-(2-aminophenyl)-4-[1-(2-hydroxy-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethoxy)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]ethylideneamino]benzamide;methyl 2-hydroxy-3-[C-methyl-N-[4-(methylcarbamoyl)phenyl]carbonimidoyl]-1H-indole-5-carboxylate?
3-[N-[4-[(2-aminophenyl)carbamoyl]phenyl]-C-methylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxylic acid;N-(2-aminophenyl)-4-[1-(2-hydroxy-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethoxy)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]ethylideneamino]benzamide;methyl 2-hydroxy-3-[C-methyl-N-[4-(methylcarbamoyl)phenyl]carbonimidoyl]-1H-indole-5-carboxylate has a molecular weight of 2099.15 g/mol, XLogP of 24.17, 22 rotatable bonds, 20 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-[4-[(2-aminophenyl)carbamoyl]phenyl]-C-methylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxylic acid;N-(2-aminophenyl)-4-[1-(2-hydroxy-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethoxy)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]ethylideneamino]benzamide;methyl 2-hydroxy-3-[C-methyl-N-[4-(methylcarbamoyl)phenyl]carbonimidoyl]-1H-indole-5-carboxylate is sourced from PubChem (CID 137045493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).