N-[(4-methoxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide

C18H15N3O5 — CID 10665748

IUPACN-[(4-methoxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
SMILESCOc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1
InChIInChI=1S/C18H15N3O5/c1-26-13-5-2-11(3-6-13)9-20-18(23)17(22)15-10-19-16-7-4-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)
InChIKeySNEWVMXJSABDSK-UHFFFAOYSA-N
MW353.33 g/mol
LogP2.58
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide

N-[(4-methoxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 10665748) has the molecular formula C18H15N3O5 and a molecular weight of 353.33 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
PubChem CID10665748
Molecular FormulaC18H15N3O5
Molecular Weight353.33 g/mol
Exact Mass353.10
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
SMILESCOc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1
InChIInChI=1S/C18H15N3O5/c1-26-13-5-2-11(3-6-13)9-20-18(23)17(22)15-10-19-16-7-4-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)
InChIKeySNEWVMXJSABDSK-UHFFFAOYSA-N
XLogP2.58
TPSA114.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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

Pci-34051
CID 24753719
Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)
CID 211017
2-(1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5315108
2-(6-fluoro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 16762233
N-(p-methylbenzyl)-5-nitroindol-3-ylglyoxylamide
CID 16124785
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(4-methoxyphenyl)-1H-indol-3-yl]ethane-1,2-dione
CID 507829
1-(5-methoxy-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione
CID 1769607
2-(1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide
CID 2227674
N-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide
CID 2450324
N-(4-methoxybenzoyl)tryptophan
CID 2787197
N-(1H-indol-5-yl)-4-methoxybenzamide
CID 2814507
1-(1H-Indol-3-ylcarbonyl)-N-(4-methoxybenzyl)formamide
CID 1588018

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide (CID 10665748) is N-[(4-methoxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide is COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is SNEWVMXJSABDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O5/c1-26-13-5-2-11(3-6-13)9-20-18(23)17(22)15-10-19-16-7-4-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide?
N-[(4-methoxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 353.33 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 10665748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).