1-benzyl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]indole-2-carboxamide

C23H19N3O3 — CID 135882965

IUPAC1-benzyl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]indole-2-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)c1cc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C23H19N3O3/c27-19-11-10-18(22(28)13-19)14-24-25-23(29)21-12-17-8-4-5-9-20(17)26(21)15-16-6-2-1-3-7-16/h1-14,27-28H,15H2,(H,25,29)/b24-14+
InChIKeyYLXGCJGGQHFARZ-ZVHZXABRSA-N
MW385.42 g/mol
LogP3.86
Rot. Bonds5

About 1-benzyl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]indole-2-carboxamide

1-benzyl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]indole-2-carboxamide (PubChem CID 135882965) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 1-benzyl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]indole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]indole-2-carboxamide
PubChem CID135882965
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name1-benzyl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]indole-2-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)c1cc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C23H19N3O3/c27-19-11-10-18(22(28)13-19)14-24-25-23(29)21-12-17-8-4-5-9-20(17)26(21)15-16-6-2-1-3-7-16/h1-14,27-28H,15H2,(H,25,29)/b24-14+
InChIKeyYLXGCJGGQHFARZ-ZVHZXABRSA-N
XLogP3.86
TPSA86.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135644980
N-[2-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 136732643
1-benzyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide
CID 7313084
1-benzyl-N-(1-hydroxypropan-2-yl)indole-2-carboxamide
CID 78888011
N-[(E)-1-(4-aminophenyl)ethylideneamino]-1-benzylindole-2-carboxamide
CID 27876412
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide
CID 135648812
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680
1-benzyl-8-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-3,7-dimethylpurine-2,6-dione
CID 135949622
4-benzyl-N-[(E)-benzylideneamino]thieno[3,2-b]pyrrole-5-carboxamide
CID 155803468
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-ethylquinoline-4-carboxamide
CID 135457689
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 136720676
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]butanediamide
CID 135458919

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]indole-2-carboxamide?
The IUPAC name of 1-benzyl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]indole-2-carboxamide (CID 135882965) is 1-benzyl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]indole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]indole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]indole-2-carboxamide is O=C(N/N=C/c1ccc(O)cc1O)c1cc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]indole-2-carboxamide?
The InChIKey is YLXGCJGGQHFARZ-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H19N3O3/c27-19-11-10-18(22(28)13-19)14-24-25-23(29)21-12-17-8-4-5-9-20(17)26(21)15-16-6-2-1-3-7-16/h1-14,27-28H,15H2,(H,25,29)/b24-14+.
What are the key properties of 1-benzyl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]indole-2-carboxamide?
1-benzyl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]indole-2-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 3.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]indole-2-carboxamide is sourced from PubChem (CID 135882965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).