N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4-nitrobenzamide

C17H14N4O4 — CID 135715694

IUPACN-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4-nitrobenzamide
SMILESCOc1ccc2[nH]cc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c2c1
InChIInChI=1S/C17H14N4O4/c1-25-14-6-7-16-15(8-14)12(9-18-16)10-19-20-17(22)11-2-4-13(5-3-11)21(23)24/h2-10,18H,1H3,(H,20,22)/b19-10+
InChIKeyGQEBVILIZOAKQZ-VXLYETTFSA-N
MW338.32 g/mol
LogP2.85
Rot. Bonds5

About N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4-nitrobenzamide

N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4-nitrobenzamide (PubChem CID 135715694) has the molecular formula C17H14N4O4 and a molecular weight of 338.32 g/mol. Its IUPAC name is N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4-nitrobenzamide
PubChem CID135715694
Molecular FormulaC17H14N4O4
Molecular Weight338.32 g/mol
Exact Mass338.10
IUPAC NameN-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4-nitrobenzamide
SMILESCOc1ccc2[nH]cc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c2c1
InChIInChI=1S/C17H14N4O4/c1-25-14-6-7-16-15(8-14)12(9-18-16)10-19-20-17(22)11-2-4-13(5-3-11)21(23)24/h2-10,18H,1H3,(H,20,22)/b19-10+
InChIKeyGQEBVILIZOAKQZ-VXLYETTFSA-N
XLogP2.85
TPSA109.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

2-(1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5315108
5-methoxy-3-[N-(4-(4-fluoro-phenyl)-4-oxo-butyl)-1,2,5,6-tetrahydro-pyridin-3-ylmethyl]-1H-indole
CID 9866050
3-{4-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 9978693
N'-(1H-indol-3-ylmethylene)-4-methoxybenzohydrazide
CID 135412131
2-(4-fluorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 2992425
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-nitrobenzamide
CID 792934
Nicotinamide, N-(2-(5-methoxyindol-3-yl)ethyl)-
CID 207354
(E)-3-(5-methoxy-1H-indol-3-yl)-1-phenylprop-2-en-1-one
CID 5917598
3-cyclohexyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 7354609
N'-((1H-Indol-3-yl)methylene)-2-methoxybenzohydrazide
CID 135603782
(3Z)-3-[(5-methoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one
CID 6516560
N-(2-(5-Methoxy-1H-indol-3-yl)ethyl)biphenyl-4-carboxamide
CID 7354608

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4-nitrobenzamide?
The IUPAC name of N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4-nitrobenzamide (CID 135715694) is N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4-nitrobenzamide.
What is the SMILES notation for N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4-nitrobenzamide?
The canonical SMILES for N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4-nitrobenzamide is COc1ccc2[nH]cc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c2c1.
What is the InChIKey of N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4-nitrobenzamide?
The InChIKey is GQEBVILIZOAKQZ-VXLYETTFSA-N. The full InChI is InChI=1S/C17H14N4O4/c1-25-14-6-7-16-15(8-14)12(9-18-16)10-19-20-17(22)11-2-4-13(5-3-11)21(23)24/h2-10,18H,1H3,(H,20,22)/b19-10+.
What are the key properties of N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4-nitrobenzamide?
N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4-nitrobenzamide has a molecular weight of 338.32 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4-nitrobenzamide is sourced from PubChem (CID 135715694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).