N-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]imino-4-nitrobenzamide

C24H19N5O5 — CID 1048808

IUPACN-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]imino-4-nitrobenzamide
SMILESCc1ccc(NC(=O)Cn2c(O)c(/N=N/C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1
InChIInChI=1S/C24H19N5O5/c1-15-6-10-17(11-7-15)25-21(30)14-28-20-5-3-2-4-19(20)22(24(28)32)26-27-23(31)16-8-12-18(13-9-16)29(33)34/h2-13,32H,14H2,1H3,(H,25,30)/b27-26+
InChIKeyVYWJQBDIMDIYSV-CYYJNZCTSA-N
MW457.45 g/mol
LogP5.13
Rot. Bonds6

About N-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]imino-4-nitrobenzamide

N-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]imino-4-nitrobenzamide (PubChem CID 1048808) has the molecular formula C24H19N5O5 and a molecular weight of 457.45 g/mol. Its IUPAC name is N-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]imino-4-nitrobenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]imino-4-nitrobenzamide
PubChem CID1048808
Molecular FormulaC24H19N5O5
Molecular Weight457.45 g/mol
Exact Mass457.14
IUPAC NameN-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]imino-4-nitrobenzamide
SMILESCc1ccc(NC(=O)Cn2c(O)c(/N=N/C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1
InChIInChI=1S/C24H19N5O5/c1-15-6-10-17(11-7-15)25-21(30)14-28-20-5-3-2-4-19(20)22(24(28)32)26-27-23(31)16-8-12-18(13-9-16)29(33)34/h2-13,32H,14H2,1H3,(H,25,30)/b27-26+
InChIKeyVYWJQBDIMDIYSV-CYYJNZCTSA-N
XLogP5.13
TPSA139.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.45
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]imino-4-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[2-hydroxy-3-[(4-nitrobenzoyl)diazenyl]indol-1-yl]acetate
CID 135604078
2-(2-hydroxy-3-phenyldiazenylindol-1-yl)-N-(4-methylphenyl)acetamide
CID 3101781
N-(1-ethyl-2-hydroxyindol-3-yl)imino-3,5-dinitrobenzamide
CID 3522953
diethyl-[[2-hydroxy-3-[(4-methylbenzoyl)diazenyl]indol-1-yl]methyl]azanium
CID 2315375
N'-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-N-(4-nitrophenyl)oxamide
CID 3101776
N-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2-hydroxyindol-3-yl]imino-2-hydroxybenzamide
CID 4264369
methyl 2-[2-hydroxy-3-[(4-methoxybenzoyl)diazenyl]indol-1-yl]acetate
CID 1270570
N-[2-hydroxy-1-[(3-nitrophenyl)methyl]indol-3-yl]iminobenzamide
CID 1016399
N'-[1-(2-anilino-2-oxoethyl)-5-bromo-2-hydroxyindol-3-yl]imino-N-(4-methylphenyl)oxamide
CID 4652493
2-[3-(carbamimidoyldiazenyl)-2-hydroxyindol-1-yl]-N-phenylacetamide
CID 2304852
N-(1-butyl-2-hydroxyindol-3-yl)imino-3-nitrobenzamide
CID 135824408
N'-(2-hydroxy-1-pentylindol-3-yl)imino-N-(4-methylphenyl)oxamide
CID 135574739

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]imino-4-nitrobenzamide?
The IUPAC name of N-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]imino-4-nitrobenzamide (CID 1048808) is N-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]imino-4-nitrobenzamide.
What is the SMILES notation for N-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]imino-4-nitrobenzamide?
The canonical SMILES for N-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]imino-4-nitrobenzamide is Cc1ccc(NC(=O)Cn2c(O)c(/N=N/C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1.
What is the InChIKey of N-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]imino-4-nitrobenzamide?
The InChIKey is VYWJQBDIMDIYSV-CYYJNZCTSA-N. The full InChI is InChI=1S/C24H19N5O5/c1-15-6-10-17(11-7-15)25-21(30)14-28-20-5-3-2-4-19(20)22(24(28)32)26-27-23(31)16-8-12-18(13-9-16)29(33)34/h2-13,32H,14H2,1H3,(H,25,30)/b27-26+.
What are the key properties of N-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]imino-4-nitrobenzamide?
N-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]imino-4-nitrobenzamide has a molecular weight of 457.45 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]imino-4-nitrobenzamide is sourced from PubChem (CID 1048808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).