2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide

C19H19BrN2O4 — CID 56559065

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide
SMILESO=C(COc1ccc2ccccc2c1Br)NCCCN1C(=O)CCC1=O
InChIInChI=1S/C19H19BrN2O4/c20-19-14-5-2-1-4-13(14)6-7-15(19)26-12-16(23)21-10-3-11-22-17(24)8-9-18(22)25/h1-2,4-7H,3,8-12H2,(H,21,23)
InChIKeyVYOFBHHNMAZPCU-UHFFFAOYSA-N
MW419.28 g/mol
LogP2.64
Rot. Bonds7

About 2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide

2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 56559065) has the molecular formula C19H19BrN2O4 and a molecular weight of 419.28 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide
PubChem CID56559065
Molecular FormulaC19H19BrN2O4
Molecular Weight419.28 g/mol
Exact Mass418.05
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide
SMILESO=C(COc1ccc2ccccc2c1Br)NCCCN1C(=O)CCC1=O
InChIInChI=1S/C19H19BrN2O4/c20-19-14-5-2-1-4-13(14)6-7-15(19)26-12-16(23)21-10-3-11-22-17(24)8-9-18(22)25/h1-2,4-7H,3,8-12H2,(H,21,23)
InChIKeyVYOFBHHNMAZPCU-UHFFFAOYSA-N
XLogP2.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-bromonaphthalen-2-yl)oxy-N-(butylcarbamoyl)acetamide
CID 9353794
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 7642347
methyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 4779140
methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate
CID 28638196
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylacetamide
CID 37006365
2-(1-bromonaphthalen-2-yl)oxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 51129169
2-(1-bromonaphthalen-2-yl)oxy-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 37004225
N'-(benzenesulfonyl)-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide
CID 3387456
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-butylbenzamide
CID 17149335
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2,2-trifluoroacetohydrazide
CID 3955420
N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide
CID 1300372
2-(1-bromonaphthalen-2-yl)oxy-N-(4-chlorophenyl)acetamide
CID 1010815

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide (CID 56559065) is 2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide is O=C(COc1ccc2ccccc2c1Br)NCCCN1C(=O)CCC1=O.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is VYOFBHHNMAZPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O4/c20-19-14-5-2-1-4-13(14)6-7-15(19)26-12-16(23)21-10-3-11-22-17(24)8-9-18(22)25/h1-2,4-7H,3,8-12H2,(H,21,23).
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 419.28 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 56559065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).