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

C20H14N2O3 — CID 44597740

IUPACN-(5-hydroxynaphthalen-1-yl)-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(Nc1cccc2c(O)cccc12)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H14N2O3/c23-18-10-4-6-12-14(18)7-3-9-17(12)22-20(25)19(24)15-11-21-16-8-2-1-5-13(15)16/h1-11,21,23H,(H,22,25)
InChIKeyNFXMSCKTXJRBJH-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.85
Rot. Bonds3

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

N-(5-hydroxynaphthalen-1-yl)-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 44597740) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-(5-hydroxynaphthalen-1-yl)-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(5-hydroxynaphthalen-1-yl)-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID44597740
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC NameN-(5-hydroxynaphthalen-1-yl)-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(Nc1cccc2c(O)cccc12)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H14N2O3/c23-18-10-4-6-12-14(18)7-3-9-17(12)22-20(25)19(24)15-11-21-16-8-2-1-5-13(15)16/h1-11,21,23H,(H,22,25)
InChIKeyNFXMSCKTXJRBJH-UHFFFAOYSA-N
XLogP3.85
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.85
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-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(5-hydroxynaphthalen-1-yl)-2-(1H-indol-3-yl)-2-oxoacetamide (CID 44597740) is N-(5-hydroxynaphthalen-1-yl)-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(5-hydroxynaphthalen-1-yl)-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(5-hydroxynaphthalen-1-yl)-2-(1H-indol-3-yl)-2-oxoacetamide is O=C(Nc1cccc2c(O)cccc12)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-(5-hydroxynaphthalen-1-yl)-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is NFXMSCKTXJRBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3/c23-18-10-4-6-12-14(18)7-3-9-17(12)22-20(25)19(24)15-11-21-16-8-2-1-5-13(15)16/h1-11,21,23H,(H,22,25).
What are the key properties of N-(5-hydroxynaphthalen-1-yl)-2-(1H-indol-3-yl)-2-oxoacetamide?
N-(5-hydroxynaphthalen-1-yl)-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 330.34 g/mol, XLogP of 3.85, 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-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 44597740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).