N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide

C17H15N3O2 — CID 135404049

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)N/N=C/c1ccccc1O
InChIInChI=1S/C17H15N3O2/c21-16-8-4-1-5-12(16)11-19-20-17(22)9-13-10-18-15-7-3-2-6-14(13)15/h1-8,10-11,18,21H,9H2,(H,20,22)/b19-11+
InChIKeyFBWKZUXQSNCKMS-YBFXNURJSA-N
MW293.33 g/mol
LogP2.57
Rot. Bonds4

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide (PubChem CID 135404049) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
PubChem CID135404049
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)N/N=C/c1ccccc1O
InChIInChI=1S/C17H15N3O2/c21-16-8-4-1-5-12(16)11-19-20-17(22)9-13-10-18-15-7-3-2-6-14(13)15/h1-8,10-11,18,21H,9H2,(H,20,22)/b19-11+
InChIKeyFBWKZUXQSNCKMS-YBFXNURJSA-N
XLogP2.57
TPSA77.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide (CID 135404049) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)N/N=C/c1ccccc1O.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide?
The InChIKey is FBWKZUXQSNCKMS-YBFXNURJSA-N. The full InChI is InChI=1S/C17H15N3O2/c21-16-8-4-1-5-12(16)11-19-20-17(22)9-13-10-18-15-7-3-2-6-14(13)15/h1-8,10-11,18,21H,9H2,(H,20,22)/b19-11+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide has a molecular weight of 293.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 135404049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).