N-[1-(2-anilino-2-oxoethyl)-2-hydroxyindol-3-yl]imino-2-hydroxybenzamide

C23H18N4O4 — CID 1098382

IUPACN-[1-(2-anilino-2-oxoethyl)-2-hydroxyindol-3-yl]imino-2-hydroxybenzamide
SMILESO=C(Cn1c(O)c(/N=N/C(=O)c2ccccc2O)c2ccccc21)Nc1ccccc1
InChIInChI=1S/C23H18N4O4/c28-19-13-7-5-11-17(19)22(30)26-25-21-16-10-4-6-12-18(16)27(23(21)31)14-20(29)24-15-8-2-1-3-9-15/h1-13,28,31H,14H2,(H,24,29)/b26-25+
InChIKeyBVZSPCSHPWPXPV-OCEACIFDSA-N
MW414.42 g/mol
LogP4.62
Rot. Bonds5

About N-[1-(2-anilino-2-oxoethyl)-2-hydroxyindol-3-yl]imino-2-hydroxybenzamide

N-[1-(2-anilino-2-oxoethyl)-2-hydroxyindol-3-yl]imino-2-hydroxybenzamide (PubChem CID 1098382) has the molecular formula C23H18N4O4 and a molecular weight of 414.42 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)-2-hydroxyindol-3-yl]imino-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-(2-anilino-2-oxoethyl)-2-hydroxyindol-3-yl]imino-2-hydroxybenzamide
PubChem CID1098382
Molecular FormulaC23H18N4O4
Molecular Weight414.42 g/mol
Exact Mass414.13
IUPAC NameN-[1-(2-anilino-2-oxoethyl)-2-hydroxyindol-3-yl]imino-2-hydroxybenzamide
SMILESO=C(Cn1c(O)c(/N=N/C(=O)c2ccccc2O)c2ccccc21)Nc1ccccc1
InChIInChI=1S/C23H18N4O4/c28-19-13-7-5-11-17(19)22(30)26-25-21-16-10-4-6-12-18(16)27(23(21)31)14-20(29)24-15-8-2-1-3-9-15/h1-13,28,31H,14H2,(H,24,29)/b26-25+
InChIKeyBVZSPCSHPWPXPV-OCEACIFDSA-N
XLogP4.62
TPSA116.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilino-2-oxoethyl)-2-hydroxyindol-3-yl]imino-2-hydroxybenzamide?
The IUPAC name of N-[1-(2-anilino-2-oxoethyl)-2-hydroxyindol-3-yl]imino-2-hydroxybenzamide (CID 1098382) is N-[1-(2-anilino-2-oxoethyl)-2-hydroxyindol-3-yl]imino-2-hydroxybenzamide.
What is the SMILES notation for N-[1-(2-anilino-2-oxoethyl)-2-hydroxyindol-3-yl]imino-2-hydroxybenzamide?
The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)-2-hydroxyindol-3-yl]imino-2-hydroxybenzamide is O=C(Cn1c(O)c(/N=N/C(=O)c2ccccc2O)c2ccccc21)Nc1ccccc1.
What is the InChIKey of N-[1-(2-anilino-2-oxoethyl)-2-hydroxyindol-3-yl]imino-2-hydroxybenzamide?
The InChIKey is BVZSPCSHPWPXPV-OCEACIFDSA-N. The full InChI is InChI=1S/C23H18N4O4/c28-19-13-7-5-11-17(19)22(30)26-25-21-16-10-4-6-12-18(16)27(23(21)31)14-20(29)24-15-8-2-1-3-9-15/h1-13,28,31H,14H2,(H,24,29)/b26-25+.
What are the key properties of N-[1-(2-anilino-2-oxoethyl)-2-hydroxyindol-3-yl]imino-2-hydroxybenzamide?
N-[1-(2-anilino-2-oxoethyl)-2-hydroxyindol-3-yl]imino-2-hydroxybenzamide has a molecular weight of 414.42 g/mol, XLogP of 4.62, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-anilino-2-oxoethyl)-2-hydroxyindol-3-yl]imino-2-hydroxybenzamide is sourced from PubChem (CID 1098382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).