3-hydroxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide

C17H15N3O2 — CID 136852030

IUPAC3-hydroxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
SMILESCc1[nH]c2ccccc2c1/C=N\NC(=O)c1cccc(O)c1
InChIInChI=1S/C17H15N3O2/c1-11-15(14-7-2-3-8-16(14)19-11)10-18-20-17(22)12-5-4-6-13(21)9-12/h2-10,19,21H,1H3,(H,20,22)/b18-10-
InChIKeyYURMMOWKNIVRFK-ZDLGFXPLSA-N
MW293.33 g/mol
LogP2.95
Rot. Bonds3

About 3-hydroxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide

3-hydroxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide (PubChem CID 136852030) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-hydroxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-hydroxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
PubChem CID136852030
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name3-hydroxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
SMILESCc1[nH]c2ccccc2c1/C=N\NC(=O)c1cccc(O)c1
InChIInChI=1S/C17H15N3O2/c1-11-15(14-7-2-3-8-16(14)19-11)10-18-20-17(22)12-5-4-6-13(21)9-12/h2-10,19,21H,1H3,(H,20,22)/b18-10-
InChIKeyYURMMOWKNIVRFK-ZDLGFXPLSA-N
XLogP2.95
TPSA77.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

3,5-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135403084
2,4-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135421610
3-hydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide
CID 135490389
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-3-carboxamide
CID 135421558
N-[(Z)-anthracen-9-ylmethylideneamino]-3-hydroxybenzamide
CID 6016653
3-hydroxy-N-[(3-hydroxy-1-oxo-2H-isoquinolin-4-yl)methylideneamino]benzamide
CID 137098407
3-iodo-4-methoxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135931425
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-indole-7-carboxamide
CID 136732453
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-indole-7-carboxamide
CID 135615472
2,8-dimethyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]quinoline-3-carboxamide
CID 135435758
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide
CID 136852027
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-4-propoxybenzamide
CID 136727560

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide?
The IUPAC name of 3-hydroxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide (CID 136852030) is 3-hydroxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 3-hydroxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide?
The canonical SMILES for 3-hydroxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide is Cc1[nH]c2ccccc2c1/C=N\NC(=O)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide?
The InChIKey is YURMMOWKNIVRFK-ZDLGFXPLSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11-15(14-7-2-3-8-16(14)19-11)10-18-20-17(22)12-5-4-6-13(21)9-12/h2-10,19,21H,1H3,(H,20,22)/b18-10-.
What are the key properties of 3-hydroxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide?
3-hydroxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide has a molecular weight of 293.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 136852030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).