3-(1,3-dioxoisoindol-2-yl)-2-naphthalen-1-ylpropanoyl chloride

C21H14ClNO3 — CID 10737457

IUPAC3-(1,3-dioxoisoindol-2-yl)-2-naphthalen-1-ylpropanoyl chloride
SMILESO=C(Cl)C(CN1C(=O)c2ccccc2C1=O)c1cccc2ccccc12
InChIInChI=1S/C21H14ClNO3/c22-19(24)18(15-11-5-7-13-6-1-2-8-14(13)15)12-23-20(25)16-9-3-4-10-17(16)21(23)26/h1-11,18H,12H2
InChIKeyVGMMRMFDLXRUDA-UHFFFAOYSA-N
MW363.80 g/mol
LogP3.98
Rot. Bonds4

About 3-(1,3-dioxoisoindol-2-yl)-2-naphthalen-1-ylpropanoyl chloride

3-(1,3-dioxoisoindol-2-yl)-2-naphthalen-1-ylpropanoyl chloride (PubChem CID 10737457) has the molecular formula C21H14ClNO3 and a molecular weight of 363.80 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-2-naphthalen-1-ylpropanoyl chloride.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-2-naphthalen-1-ylpropanoyl chloride
PubChem CID10737457
Molecular FormulaC21H14ClNO3
Molecular Weight363.80 g/mol
Exact Mass363.07
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-2-naphthalen-1-ylpropanoyl chloride
SMILESO=C(Cl)C(CN1C(=O)c2ccccc2C1=O)c1cccc2ccccc12
InChIInChI=1S/C21H14ClNO3/c22-19(24)18(15-11-5-7-13-6-1-2-8-14(13)15)12-23-20(25)16-9-3-4-10-17(16)21(23)26/h1-11,18H,12H2
InChIKeyVGMMRMFDLXRUDA-UHFFFAOYSA-N
XLogP3.98
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-2-naphthalen-1-ylpropanoic acid
CID 10831354
2-naphthalen-1-ylhexanoyl chloride
CID 131880950
2-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide
CID 90497331
2-chloro-2-naphthalen-1-ylacetyl chloride;methane
CID 174783201
(3R)-3-[(S)-hydroxy(naphthalen-1-yl)methyl]-2-methyl-3H-isoindol-1-one
CID 101159080
2-(1,3-dioxoisoindol-2-yl)acetyl chloride
CID 11031536
(2S)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropanoic acid
CID 67719573
potassium 2-amino-3-(1,3-dioxoisoindol-2-yl)propanoate
CID 74083305
tert-butyl-[2-(1,3-dioxoisoindol-2-yl)-2-naphthalen-1-ylethyl]carbamic acid
CID 67065470
2-[6-(1,3-dioxoisoindol-2-yl)-2,5-dihydroxyhexyl]isoindole-1,3-dione
CID 5232489
(2S)-3-(1,3-dioxoisoindol-2-yl)-2-(4-methoxyphenyl)propanoic acid
CID 102005725
(1,3-dioxoisoindol-2-yl)methyl naphthalene-1-carboxylate
CID 3380450

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-2-naphthalen-1-ylpropanoyl chloride?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-2-naphthalen-1-ylpropanoyl chloride (CID 10737457) is 3-(1,3-dioxoisoindol-2-yl)-2-naphthalen-1-ylpropanoyl chloride.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-2-naphthalen-1-ylpropanoyl chloride?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-2-naphthalen-1-ylpropanoyl chloride is O=C(Cl)C(CN1C(=O)c2ccccc2C1=O)c1cccc2ccccc12.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-2-naphthalen-1-ylpropanoyl chloride?
The InChIKey is VGMMRMFDLXRUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNO3/c22-19(24)18(15-11-5-7-13-6-1-2-8-14(13)15)12-23-20(25)16-9-3-4-10-17(16)21(23)26/h1-11,18H,12H2.
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-2-naphthalen-1-ylpropanoyl chloride?
3-(1,3-dioxoisoindol-2-yl)-2-naphthalen-1-ylpropanoyl chloride has a molecular weight of 363.80 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-2-naphthalen-1-ylpropanoyl chloride is sourced from PubChem (CID 10737457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).