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

C22H15N5O6 — CID 136897272

IUPACN-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(N/N=C\c1cccc([N+](=O)[O-])c1O)c1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1
InChIInChI=1S/C22H15N5O6/c28-21-14(7-4-8-18(21)27(32)33)12-23-25-22(29)20-19(13-5-2-1-3-6-13)16-11-15(26(30)31)9-10-17(16)24-20/h1-12,24,28H,(H,25,29)/b23-12-
InChIKeyFADAHXRSNCZVBL-FMCGGJTJSA-N
MW445.39 g/mol
LogP4.12
Rot. Bonds6

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

N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide (PubChem CID 136897272) has the molecular formula C22H15N5O6 and a molecular weight of 445.39 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide
PubChem CID136897272
Molecular FormulaC22H15N5O6
Molecular Weight445.39 g/mol
Exact Mass445.10
IUPAC NameN-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(N/N=C\c1cccc([N+](=O)[O-])c1O)c1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1
InChIInChI=1S/C22H15N5O6/c28-21-14(7-4-8-18(21)27(32)33)12-23-25-22(29)20-19(13-5-2-1-3-6-13)16-11-15(26(30)31)9-10-17(16)24-20/h1-12,24,28H,(H,25,29)/b23-12-
InChIKeyFADAHXRSNCZVBL-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-3-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-5-nitrophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide
CID 136897273
N-[(E)-(3-chlorophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide
CID 10295546
N-[(4-chlorophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide
CID 4309657
N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 137173396
2-[[(5-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]benzoate
CID 3689306
N-[(2-hydroxy-3-nitrophenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
CID 4310910
3,4,5-trihydroxy-N-[(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 4863381
2-hydroxy-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-nitrobenzamide
CID 137026862
N-[(E)-benzylideneamino]-5-bromo-3-phenyl-1H-indole-2-carboxamide
CID 6878137
3-fluoro-N-[(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 3759979
3,5-dibromo-4-hydroxy-N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 137076595
3-bromo-N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135905938

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide (CID 136897272) is N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide is O=C(N/N=C\c1cccc([N+](=O)[O-])c1O)c1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1.
What is the InChIKey of N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide?
The InChIKey is FADAHXRSNCZVBL-FMCGGJTJSA-N. The full InChI is InChI=1S/C22H15N5O6/c28-21-14(7-4-8-18(21)27(32)33)12-23-25-22(29)20-19(13-5-2-1-3-6-13)16-11-15(26(30)31)9-10-17(16)24-20/h1-12,24,28H,(H,25,29)/b23-12-.
What are the key properties of N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide?
N-[(Z)-(2-hydroxy-3-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-3-nitrophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 136897272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).