N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide

C22H15N5O6 — CID 136897273

IUPACN-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(N/N=C\c1cc([N+](=O)[O-])ccc1O)c1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1
InChIInChI=1S/C22H15N5O6/c28-19-9-7-15(26(30)31)10-14(19)12-23-25-22(29)21-20(13-4-2-1-3-5-13)17-11-16(27(32)33)6-8-18(17)24-21/h1-12,24,28H,(H,25,29)/b23-12-
InChIKeyXJJDZRFFOGJDDI-FMCGGJTJSA-N
MW445.39 g/mol
LogP4.12
Rot. Bonds6

About N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide

N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide (PubChem CID 136897273) has the molecular formula C22H15N5O6 and a molecular weight of 445.39 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide
PubChem CID136897273
Molecular FormulaC22H15N5O6
Molecular Weight445.39 g/mol
Exact Mass445.10
IUPAC NameN-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(N/N=C\c1cc([N+](=O)[O-])ccc1O)c1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1
InChIInChI=1S/C22H15N5O6/c28-19-9-7-15(26(30)31)10-14(19)12-23-25-22(29)21-20(13-4-2-1-3-5-13)17-11-16(27(32)33)6-8-18(17)24-21/h1-12,24,28H,(H,25,29)/b23-12-
InChIKeyXJJDZRFFOGJDDI-FMCGGJTJSA-N
XLogP4.12
TPSA163.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.39
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide 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

N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide
CID 136897272
N-[(4-chlorophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide
CID 4309657
N-[(E)-(3-chlorophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide
CID 10295546
N-[(E)-benzylideneamino]-5-bromo-3-phenyl-1H-indole-2-carboxamide
CID 6878137
2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide
CID 3358963
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide
CID 135830603
5-bromo-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 135517136
3-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 3101754
2-[[(5-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]benzoate
CID 3689306
2-N,5-N-bis[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2,5-dicarboxamide
CID 4111159
N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-phenyloxamide
CID 3817140
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methyl-3H-benzimidazole-5-carboxamide
CID 3916277

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide (CID 136897273) is N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide is O=C(N/N=C\c1cc([N+](=O)[O-])ccc1O)c1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1.
What is the InChIKey of N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide?
The InChIKey is XJJDZRFFOGJDDI-FMCGGJTJSA-N. The full InChI is InChI=1S/C22H15N5O6/c28-19-9-7-15(26(30)31)10-14(19)12-23-25-22(29)21-20(13-4-2-1-3-5-13)17-11-16(27(32)33)6-8-18(17)24-21/h1-12,24,28H,(H,25,29)/b23-12-.
What are the key properties of N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide?
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide has a molecular weight of 445.39 g/mol, XLogP of 4.12, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 136897273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).