N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethoxy)-1H-indol-3-yl]ethylideneamino]benzamide

C24H19F3N4O3 — CID 135911738

IUPACN-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethoxy)-1H-indol-3-yl]ethylideneamino]benzamide
SMILESC/C(=N\c1ccc(C(=O)Nc2ccccc2N)cc1)c1c(O)[nH]c2ccc(OC(F)(F)F)cc12
InChIInChI=1S/C24H19F3N4O3/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/h2-12,30,33H,28H2,1H3,(H,31,32)/b29-13+
InChIKeySZIGYBGGNAHYCA-VFLNYLIXSA-N
MW468.44 g/mol
LogP5.75
Rot. Bonds5

About N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethoxy)-1H-indol-3-yl]ethylideneamino]benzamide

N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethoxy)-1H-indol-3-yl]ethylideneamino]benzamide (PubChem CID 135911738) has the molecular formula C24H19F3N4O3 and a molecular weight of 468.44 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethoxy)-1H-indol-3-yl]ethylideneamino]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethoxy)-1H-indol-3-yl]ethylideneamino]benzamide
PubChem CID135911738
Molecular FormulaC24H19F3N4O3
Molecular Weight468.44 g/mol
Exact Mass468.14
IUPAC NameN-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethoxy)-1H-indol-3-yl]ethylideneamino]benzamide
SMILESC/C(=N\c1ccc(C(=O)Nc2ccccc2N)cc1)c1c(O)[nH]c2ccc(OC(F)(F)F)cc12
InChIInChI=1S/C24H19F3N4O3/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/h2-12,30,33H,28H2,1H3,(H,31,32)/b29-13+
InChIKeySZIGYBGGNAHYCA-VFLNYLIXSA-N
XLogP5.75
TPSA112.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.44
LogP ≤ 55.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethoxy)-1H-indol-3-yl]ethylideneamino]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethoxy)-1H-indol-3-yl]ethylideneamino]benzamide (CID 135911738) is N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethoxy)-1H-indol-3-yl]ethylideneamino]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethoxy)-1H-indol-3-yl]ethylideneamino]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethoxy)-1H-indol-3-yl]ethylideneamino]benzamide is C/C(=N\c1ccc(C(=O)Nc2ccccc2N)cc1)c1c(O)[nH]c2ccc(OC(F)(F)F)cc12.
What is the InChIKey of N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethoxy)-1H-indol-3-yl]ethylideneamino]benzamide?
The InChIKey is SZIGYBGGNAHYCA-VFLNYLIXSA-N. The full InChI is InChI=1S/C24H19F3N4O3/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/h2-12,30,33H,28H2,1H3,(H,31,32)/b29-13+.
What are the key properties of N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethoxy)-1H-indol-3-yl]ethylideneamino]benzamide?
N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethoxy)-1H-indol-3-yl]ethylideneamino]benzamide has a molecular weight of 468.44 g/mol, XLogP of 5.75, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(trifluoromethoxy)-1H-indol-3-yl]ethylideneamino]benzamide is sourced from PubChem (CID 135911738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).