N-(1,3-dioxoisoindol-4-yl)-2-naphthalen-1-ylacetamide

C20H14N2O3 — CID 727482

IUPACN-(1,3-dioxoisoindol-4-yl)-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)Nc1cccc2c1C(=O)NC2=O
InChIInChI=1S/C20H14N2O3/c23-17(11-13-7-3-6-12-5-1-2-8-14(12)13)21-16-10-4-9-15-18(16)20(25)22-19(15)24/h1-10H,11H2,(H,21,23)(H,22,24,25)
InChIKeyWTMDERKPVCVBGV-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.90
Rot. Bonds3

About N-(1,3-dioxoisoindol-4-yl)-2-naphthalen-1-ylacetamide

N-(1,3-dioxoisoindol-4-yl)-2-naphthalen-1-ylacetamide (PubChem CID 727482) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-4-yl)-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-4-yl)-2-naphthalen-1-ylacetamide
PubChem CID727482
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC NameN-(1,3-dioxoisoindol-4-yl)-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)Nc1cccc2c1C(=O)NC2=O
InChIInChI=1S/C20H14N2O3/c23-17(11-13-7-3-6-12-5-1-2-8-14(12)13)21-16-10-4-9-15-18(16)20(25)22-19(15)24/h1-10H,11H2,(H,21,23)(H,22,24,25)
InChIKeyWTMDERKPVCVBGV-UHFFFAOYSA-N
XLogP2.90
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228282
(1,3-dioxoisoindol-4-yl)carbamic acid
CID 69050787
2-(5-chlorothiophen-2-yl)-N-(1,3-dioxoisoindol-4-yl)acetamide
CID 41340452
N-(1,3-dioxoisoindol-4-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 17362404
N-(2-bromophenyl)-2-naphthalen-1-ylacetamide
CID 835456
N-(1,3-dioxoisoindol-4-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838342
N-(2,3-dimethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228165
2-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzoate
CID 2405590
2-chloro-N-(1,3-dioxoisoindol-4-yl)benzamide
CID 9322151
N-(1,3-dioxoisoindol-4-yl)-2-methylpentanamide
CID 25250136
2-[[2-[(2-naphthalen-1-ylacetyl)amino]benzoyl]amino]acetic acid
CID 134594660
2-(2-fluorophenyl)-N-naphthalen-1-ylacetamide
CID 836511

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-4-yl)-2-naphthalen-1-ylacetamide?
The IUPAC name of N-(1,3-dioxoisoindol-4-yl)-2-naphthalen-1-ylacetamide (CID 727482) is N-(1,3-dioxoisoindol-4-yl)-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-4-yl)-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-(1,3-dioxoisoindol-4-yl)-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)Nc1cccc2c1C(=O)NC2=O.
What is the InChIKey of N-(1,3-dioxoisoindol-4-yl)-2-naphthalen-1-ylacetamide?
The InChIKey is WTMDERKPVCVBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3/c23-17(11-13-7-3-6-12-5-1-2-8-14(12)13)21-16-10-4-9-15-18(16)20(25)22-19(15)24/h1-10H,11H2,(H,21,23)(H,22,24,25).
What are the key properties of N-(1,3-dioxoisoindol-4-yl)-2-naphthalen-1-ylacetamide?
N-(1,3-dioxoisoindol-4-yl)-2-naphthalen-1-ylacetamide has a molecular weight of 330.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-4-yl)-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 727482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).