N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1H-indole-7-carboxamide

C16H12N4O4 — CID 135494520

IUPACN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1H-indole-7-carboxamide
SMILESO=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cccc2cc[nH]c12
InChIInChI=1S/C16H12N4O4/c21-14-5-4-12(20(23)24)8-11(14)9-18-19-16(22)13-3-1-2-10-6-7-17-15(10)13/h1-9,17,21H,(H,19,22)/b18-9+
InChIKeyXRLYSOSWDPXXAX-GIJQJNRQSA-N
MW324.30 g/mol
LogP2.55
Rot. Bonds4

About N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1H-indole-7-carboxamide

N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1H-indole-7-carboxamide (PubChem CID 135494520) has the molecular formula C16H12N4O4 and a molecular weight of 324.30 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1H-indole-7-carboxamide
PubChem CID135494520
Molecular FormulaC16H12N4O4
Molecular Weight324.30 g/mol
Exact Mass324.09
IUPAC NameN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1H-indole-7-carboxamide
SMILESO=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cccc2cc[nH]c12
InChIInChI=1S/C16H12N4O4/c21-14-5-4-12(20(23)24)8-11(14)9-18-19-16(22)13-3-1-2-10-6-7-17-15(10)13/h1-9,17,21H,(H,19,22)/b18-9+
InChIKeyXRLYSOSWDPXXAX-GIJQJNRQSA-N
XLogP2.55
TPSA120.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

3-hydroxy-N'-[(E)-1H-indol-3-ylmethylidene]benzohydrazide
CID 135613205
2-Hydroxy-N'-(1H-indol-3-ylmethylene)benzohydrazide
CID 135643123
N-[(4-hydroxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
CID 10688438
N'-[(E)-(2-hydroxyphenyl)methylidene]-2-(1H-indol-3-yl)acetohydrazide
CID 135404049
4-hydroxy-N'-[(1Z)-1H-indol-3-ylmethylene]benzohydrazide
CID 135829858
N-[(E)-[2-(4-hydroxyphenyl)-1H-indol-3-yl]methylideneamino]-4-nitrobenzamide
CID 136068393
1h-Indole-7-carboxylic acid,[(3-nitrophenyl)methylene]hydrazide
CID 5719470
N-[(3-hydroxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
CID 10783251
N-[2-(4-hydroxyphenyl)ethyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
CID 44310682
N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]-1H-indole-3-carbohydrazide
CID 135643266
N-(4-hydroxyphenyl)-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
CID 10496259
N'-(4-hydroxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetohydrazide
CID 10827691

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1H-indole-7-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1H-indole-7-carboxamide (CID 135494520) is N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1H-indole-7-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1H-indole-7-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1H-indole-7-carboxamide is O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cccc2cc[nH]c12.
What is the InChIKey of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1H-indole-7-carboxamide?
The InChIKey is XRLYSOSWDPXXAX-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H12N4O4/c21-14-5-4-12(20(23)24)8-11(14)9-18-19-16(22)13-3-1-2-10-6-7-17-15(10)13/h1-9,17,21H,(H,19,22)/b18-9+.
What are the key properties of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1H-indole-7-carboxamide?
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1H-indole-7-carboxamide has a molecular weight of 324.30 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1H-indole-7-carboxamide is sourced from PubChem (CID 135494520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).