N-(3-acetylphenyl)-N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]acetamide

C19H15BrN2O4 — CID 44722626

IUPACN-(3-acetylphenyl)-N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]acetamide
SMILESCC(=O)c1cccc(N(CN2C(=O)c3ccc(Br)cc3C2=O)C(C)=O)c1
InChIInChI=1S/C19H15BrN2O4/c1-11(23)13-4-3-5-15(8-13)21(12(2)24)10-22-18(25)16-7-6-14(20)9-17(16)19(22)26/h3-9H,10H2,1-2H3
InChIKeyRYJCPRRJHLJRKX-UHFFFAOYSA-N
MW415.24 g/mol
LogP3.26
Rot. Bonds4

About N-(3-acetylphenyl)-N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]acetamide

N-(3-acetylphenyl)-N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]acetamide (PubChem CID 44722626) has the molecular formula C19H15BrN2O4 and a molecular weight of 415.24 g/mol. Its IUPAC name is N-(3-acetylphenyl)-N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]acetamide
PubChem CID44722626
Molecular FormulaC19H15BrN2O4
Molecular Weight415.24 g/mol
Exact Mass414.02
IUPAC NameN-(3-acetylphenyl)-N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]acetamide
SMILESCC(=O)c1cccc(N(CN2C(=O)c3ccc(Br)cc3C2=O)C(C)=O)c1
InChIInChI=1S/C19H15BrN2O4/c1-11(23)13-4-3-5-15(8-13)21(12(2)24)10-22-18(25)16-7-6-14(20)9-17(16)19(22)26/h3-9H,10H2,1-2H3
InChIKeyRYJCPRRJHLJRKX-UHFFFAOYSA-N
XLogP3.26
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.24
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]acetamide (CID 44722626) is N-(3-acetylphenyl)-N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]acetamide is CC(=O)c1cccc(N(CN2C(=O)c3ccc(Br)cc3C2=O)C(C)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]acetamide?
The InChIKey is RYJCPRRJHLJRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O4/c1-11(23)13-4-3-5-15(8-13)21(12(2)24)10-22-18(25)16-7-6-14(20)9-17(16)19(22)26/h3-9H,10H2,1-2H3.
What are the key properties of N-(3-acetylphenyl)-N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]acetamide?
N-(3-acetylphenyl)-N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]acetamide has a molecular weight of 415.24 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]acetamide is sourced from PubChem (CID 44722626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).