N-(5-hydroxynaphthalen-1-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide

C21H16N2O3 — CID 45485158

IUPACN-(5-hydroxynaphthalen-1-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C21H16N2O3/c1-12-19(15-6-2-3-9-17(15)22-12)20(25)21(26)23-16-10-4-8-14-13(16)7-5-11-18(14)24/h2-11,22,24H,1H3,(H,23,26)
InChIKeyMTXTYSSGWFCQIM-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.16
Rot. Bonds3

About N-(5-hydroxynaphthalen-1-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide

N-(5-hydroxynaphthalen-1-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 45485158) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(5-hydroxynaphthalen-1-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(5-hydroxynaphthalen-1-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
PubChem CID45485158
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC NameN-(5-hydroxynaphthalen-1-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C21H16N2O3/c1-12-19(15-6-2-3-9-17(15)22-12)20(25)21(26)23-16-10-4-8-14-13(16)7-5-11-18(14)24/h2-11,22,24H,1H3,(H,23,26)
InChIKeyMTXTYSSGWFCQIM-UHFFFAOYSA-N
XLogP4.16
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxynaphthalen-1-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(5-hydroxynaphthalen-1-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide (CID 45485158) is N-(5-hydroxynaphthalen-1-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(5-hydroxynaphthalen-1-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(5-hydroxynaphthalen-1-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide is Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cccc2c(O)cccc12.
What is the InChIKey of N-(5-hydroxynaphthalen-1-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is MTXTYSSGWFCQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c1-12-19(15-6-2-3-9-17(15)22-12)20(25)21(26)23-16-10-4-8-14-13(16)7-5-11-18(14)24/h2-11,22,24H,1H3,(H,23,26).
What are the key properties of N-(5-hydroxynaphthalen-1-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
N-(5-hydroxynaphthalen-1-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 344.37 g/mol, XLogP of 4.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxynaphthalen-1-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 45485158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).