4-hydroxy-N-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]benzamide

C23H19N3O2 — CID 6906207

IUPAC4-hydroxy-N-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]benzamide
SMILESCn1c(-c2ccccc2)c(/C=N/NC(=O)c2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C23H19N3O2/c1-26-21-10-6-5-9-19(21)20(22(26)16-7-3-2-4-8-16)15-24-25-23(28)17-11-13-18(27)14-12-17/h2-15,27H,1H3,(H,25,28)/b24-15+
InChIKeyREAWROSCJLHEGO-BUVRLJJBSA-N
MW369.42 g/mol
LogP4.31
Rot. Bonds4

About 4-hydroxy-N-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]benzamide

4-hydroxy-N-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]benzamide (PubChem CID 6906207) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-hydroxy-N-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]benzamide
PubChem CID6906207
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name4-hydroxy-N-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]benzamide
SMILESCn1c(-c2ccccc2)c(/C=N/NC(=O)c2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C23H19N3O2/c1-26-21-10-6-5-9-19(21)20(22(26)16-7-3-2-4-8-16)15-24-25-23(28)17-11-13-18(27)14-12-17/h2-15,27H,1H3,(H,25,28)/b24-15+
InChIKeyREAWROSCJLHEGO-BUVRLJJBSA-N
XLogP4.31
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.31
H-Bond Donors ≤ 52
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

1,3,4,9-Tetrahydro-2-(Hydroxybenzoyl)-9-[(4-Hydroxyphenyl)Methyl]-6-Methoxy-2h-Pyrido[3,4-B]Indole
CID 4470577
3-hydroxy-N'-[(E)-1H-indol-3-ylmethylidene]benzohydrazide
CID 135613205
2-Hydroxy-N'-(1H-indol-3-ylmethylene)benzohydrazide
CID 135643123
1,2,3,4-Tetrahydropyrido[3,4-b]indole 11
CID 6539926
1,2,3,4-Tetrahydropyrido[3,4-b]indole 12
CID 6539927
1,2,3,4-Tetrahydropyrido[3,4-b]indole 13
CID 6539928
4-({2-benzoyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-9-yl}methyl)phenol
CID 6539934
1,2,3,4-Tetrahydro pyrido[3,4-b]indole 20
CID 6539935
1,2,3,4-Tetrahydro pyrido[3,4-b]indole 25
CID 6539940
1,2,3,4-Tetrahydro pyrido[3,4-b]indole 27
CID 6539942
1,2,3,4-Tetrahydro pyrido[3,4-b]indole 29
CID 6539944
1,2,3,4-Tetrahydro pyrido[3,4-b]indole 32
CID 6539947

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]benzamide?
The IUPAC name of 4-hydroxy-N-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]benzamide (CID 6906207) is 4-hydroxy-N-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-N-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]benzamide is Cn1c(-c2ccccc2)c(/C=N/NC(=O)c2ccc(O)cc2)c2ccccc21.
What is the InChIKey of 4-hydroxy-N-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]benzamide?
The InChIKey is REAWROSCJLHEGO-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-26-21-10-6-5-9-19(21)20(22(26)16-7-3-2-4-8-16)15-24-25-23(28)17-11-13-18(27)14-12-17/h2-15,27H,1H3,(H,25,28)/b24-15+.
What are the key properties of 4-hydroxy-N-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]benzamide?
4-hydroxy-N-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]benzamide has a molecular weight of 369.42 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 6906207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).