N-(2-aminophenyl)-4-[[1-(2-hydroxy-1H-indol-3-yl)-2-methoxyethylidene]amino]benzamide

C24H22N4O3 — CID 135911722

IUPACN-(2-aminophenyl)-4-[[1-(2-hydroxy-1H-indol-3-yl)-2-methoxyethylidene]amino]benzamide
SMILESCOC/C(=N\c1ccc(C(=O)Nc2ccccc2N)cc1)c1c(O)[nH]c2ccccc12
InChIInChI=1S/C24H22N4O3/c1-31-14-21(22-17-6-2-4-8-19(17)27-24(22)30)26-16-12-10-15(11-13-16)23(29)28-20-9-5-3-7-18(20)25/h2-13,27,30H,14,25H2,1H3,(H,28,29)/b26-21+
InChIKeyRKXKPDDCWSFLJU-YYADALCUSA-N
MW414.47 g/mol
LogP4.48
Rot. Bonds6

About N-(2-aminophenyl)-4-[[1-(2-hydroxy-1H-indol-3-yl)-2-methoxyethylidene]amino]benzamide

N-(2-aminophenyl)-4-[[1-(2-hydroxy-1H-indol-3-yl)-2-methoxyethylidene]amino]benzamide (PubChem CID 135911722) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[1-(2-hydroxy-1H-indol-3-yl)-2-methoxyethylidene]amino]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[1-(2-hydroxy-1H-indol-3-yl)-2-methoxyethylidene]amino]benzamide
PubChem CID135911722
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC NameN-(2-aminophenyl)-4-[[1-(2-hydroxy-1H-indol-3-yl)-2-methoxyethylidene]amino]benzamide
SMILESCOC/C(=N\c1ccc(C(=O)Nc2ccccc2N)cc1)c1c(O)[nH]c2ccccc12
InChIInChI=1S/C24H22N4O3/c1-31-14-21(22-17-6-2-4-8-19(17)27-24(22)30)26-16-12-10-15(11-13-16)23(29)28-20-9-5-3-7-18(20)25/h2-13,27,30H,14,25H2,1H3,(H,28,29)/b26-21+
InChIKeyRKXKPDDCWSFLJU-YYADALCUSA-N
XLogP4.48
TPSA112.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.48
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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Related Compounds

methyl 3-[[4-[(2-aminophenyl)carbamoyl]phenyl]iminomethyl]-2-hydroxy-1H-indole-5-carboxylate
CID 135911712
N-(2-aminophenyl)-4-hydroxybenzamide;ethane
CID 145225833
N-(2-aminophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
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1-[4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]ethanone
CID 135622117
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
4-acetamido-N-(2-aminophenyl)benzamide
CID 2746
N-(2-aminophenyl)-4-[1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]triazol-4-yl]benzamide
CID 71721586
N-(2-aminophenyl)-4-hydroxy-3-methylbenzamide
CID 107671931
N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11348920
1-ethyl-3-[4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]urea
CID 135423060
methyl 4-[[(6-amino-2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzoate
CID 135585870
N-(2-aminophenyl)-4-[(3-methoxyanilino)methyl]benzamide
CID 22478895

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[1-(2-hydroxy-1H-indol-3-yl)-2-methoxyethylidene]amino]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[1-(2-hydroxy-1H-indol-3-yl)-2-methoxyethylidene]amino]benzamide (CID 135911722) is N-(2-aminophenyl)-4-[[1-(2-hydroxy-1H-indol-3-yl)-2-methoxyethylidene]amino]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[1-(2-hydroxy-1H-indol-3-yl)-2-methoxyethylidene]amino]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[1-(2-hydroxy-1H-indol-3-yl)-2-methoxyethylidene]amino]benzamide is COC/C(=N\c1ccc(C(=O)Nc2ccccc2N)cc1)c1c(O)[nH]c2ccccc12.
What is the InChIKey of N-(2-aminophenyl)-4-[[1-(2-hydroxy-1H-indol-3-yl)-2-methoxyethylidene]amino]benzamide?
The InChIKey is RKXKPDDCWSFLJU-YYADALCUSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-31-14-21(22-17-6-2-4-8-19(17)27-24(22)30)26-16-12-10-15(11-13-16)23(29)28-20-9-5-3-7-18(20)25/h2-13,27,30H,14,25H2,1H3,(H,28,29)/b26-21+.
What are the key properties of N-(2-aminophenyl)-4-[[1-(2-hydroxy-1H-indol-3-yl)-2-methoxyethylidene]amino]benzamide?
N-(2-aminophenyl)-4-[[1-(2-hydroxy-1H-indol-3-yl)-2-methoxyethylidene]amino]benzamide has a molecular weight of 414.47 g/mol, XLogP of 4.48, 6 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-1H-indol-3-yl)-2-methoxyethylidene]amino]benzamide is sourced from PubChem (CID 135911722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).