N-[[4-(3,4-dimethylphenyl)-2-hydroxy-1H-indol-3-yl]methylideneamino]-4-hydroxybenzamide

C24H21N3O3 — CID 173140923

IUPACN-[[4-(3,4-dimethylphenyl)-2-hydroxy-1H-indol-3-yl]methylideneamino]-4-hydroxybenzamide
SMILESCc1ccc(-c2cccc3[nH]c(O)c(C=NNC(=O)c4ccc(O)cc4)c23)cc1C
InChIInChI=1S/C24H21N3O3/c1-14-6-7-17(12-15(14)2)19-4-3-5-21-22(19)20(24(30)26-21)13-25-27-23(29)16-8-10-18(28)11-9-16/h3-13,26,28,30H,1-2H3,(H,27,29)
InChIKeyAJQUGTRQXBPJAI-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.63
Rot. Bonds4

About N-[[4-(3,4-dimethylphenyl)-2-hydroxy-1H-indol-3-yl]methylideneamino]-4-hydroxybenzamide

N-[[4-(3,4-dimethylphenyl)-2-hydroxy-1H-indol-3-yl]methylideneamino]-4-hydroxybenzamide (PubChem CID 173140923) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[[4-(3,4-dimethylphenyl)-2-hydroxy-1H-indol-3-yl]methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[[4-(3,4-dimethylphenyl)-2-hydroxy-1H-indol-3-yl]methylideneamino]-4-hydroxybenzamide
PubChem CID173140923
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN-[[4-(3,4-dimethylphenyl)-2-hydroxy-1H-indol-3-yl]methylideneamino]-4-hydroxybenzamide
SMILESCc1ccc(-c2cccc3[nH]c(O)c(C=NNC(=O)c4ccc(O)cc4)c23)cc1C
InChIInChI=1S/C24H21N3O3/c1-14-6-7-17(12-15(14)2)19-4-3-5-21-22(19)20(24(30)26-21)13-25-27-23(29)16-8-10-18(28)11-9-16/h3-13,26,28,30H,1-2H3,(H,27,29)
InChIKeyAJQUGTRQXBPJAI-UHFFFAOYSA-N
XLogP4.63
TPSA97.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 4115295
4-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 6132987
N-[(2,6-dichlorophenyl)methylideneamino]-4-hydroxybenzamide
CID 773943
4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070
4-hydroxy-N-[(E)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide
CID 133169998
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 6891233
3-hydroxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 136852030
N-(anthracen-9-ylmethylideneamino)-4-hydroxybenzamide
CID 702160
3,5-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135403084
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 136661498
4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzamide
CID 136969158

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4-dimethylphenyl)-2-hydroxy-1H-indol-3-yl]methylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[[4-(3,4-dimethylphenyl)-2-hydroxy-1H-indol-3-yl]methylideneamino]-4-hydroxybenzamide (CID 173140923) is N-[[4-(3,4-dimethylphenyl)-2-hydroxy-1H-indol-3-yl]methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[[4-(3,4-dimethylphenyl)-2-hydroxy-1H-indol-3-yl]methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[[4-(3,4-dimethylphenyl)-2-hydroxy-1H-indol-3-yl]methylideneamino]-4-hydroxybenzamide is Cc1ccc(-c2cccc3[nH]c(O)c(C=NNC(=O)c4ccc(O)cc4)c23)cc1C.
What is the InChIKey of N-[[4-(3,4-dimethylphenyl)-2-hydroxy-1H-indol-3-yl]methylideneamino]-4-hydroxybenzamide?
The InChIKey is AJQUGTRQXBPJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-14-6-7-17(12-15(14)2)19-4-3-5-21-22(19)20(24(30)26-21)13-25-27-23(29)16-8-10-18(28)11-9-16/h3-13,26,28,30H,1-2H3,(H,27,29).
What are the key properties of N-[[4-(3,4-dimethylphenyl)-2-hydroxy-1H-indol-3-yl]methylideneamino]-4-hydroxybenzamide?
N-[[4-(3,4-dimethylphenyl)-2-hydroxy-1H-indol-3-yl]methylideneamino]-4-hydroxybenzamide has a molecular weight of 399.45 g/mol, XLogP of 4.63, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4-dimethylphenyl)-2-hydroxy-1H-indol-3-yl]methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 173140923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).