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

C18H15BrN2O4 — CID 1039641

IUPACN-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1N(CN1C(=O)c2ccc(Br)cc2C1=O)C(C)=O
InChIInChI=1S/C18H15BrN2O4/c1-11(22)20(15-5-3-4-6-16(15)25-2)10-21-17(23)13-8-7-12(19)9-14(13)18(21)24/h3-9H,10H2,1-2H3
InChIKeyHATIMRLEQRXSFJ-UHFFFAOYSA-N
MW403.23 g/mol
LogP3.06
Rot. Bonds4

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

N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)acetamide (PubChem CID 1039641) has the molecular formula C18H15BrN2O4 and a molecular weight of 403.23 g/mol. Its IUPAC name is N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)acetamide
PubChem CID1039641
Molecular FormulaC18H15BrN2O4
Molecular Weight403.23 g/mol
Exact Mass402.02
IUPAC NameN-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1N(CN1C(=O)c2ccc(Br)cc2C1=O)C(C)=O
InChIInChI=1S/C18H15BrN2O4/c1-11(22)20(15-5-3-4-6-16(15)25-2)10-21-17(23)13-8-7-12(19)9-14(13)18(21)24/h3-9H,10H2,1-2H3
InChIKeyHATIMRLEQRXSFJ-UHFFFAOYSA-N
XLogP3.06
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.23
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(4-phenoxyphenyl)acetamide
CID 1070738
N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)acetamide
CID 988823
N-[(1,3-dioxoisoindol-2-yl)methyl]-3,5-dimethoxy-N-(2-methoxyphenyl)benzamide
CID 2332485
N-(3-acetylphenyl)-N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]acetamide
CID 44722626
N-[[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]methyl]-N-(2-methoxyphenyl)acetamide
CID 2247744
N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)decanamide
CID 3419437
N-[[(3aS,5R,7aR)-5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]methyl]-N-(2-methoxyphenyl)acetamide
CID 98177310
N-[[(3aR,5S,7aR)-5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]methyl]-N-(2-methoxyphenyl)acetamide
CID 7124747
5-bromo-2-(2-oxopropyl)isoindole-1,3-dione
CID 71186577
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-fluoro-N-(2-methoxyphenyl)benzamide
CID 4682355
4-bromo-N-[2-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-(2-methoxyphenyl)benzamide
CID 4015913
N-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylacetamide
CID 12815728

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)acetamide (CID 1039641) is N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1N(CN1C(=O)c2ccc(Br)cc2C1=O)C(C)=O.
What is the InChIKey of N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is HATIMRLEQRXSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O4/c1-11(22)20(15-5-3-4-6-16(15)25-2)10-21-17(23)13-8-7-12(19)9-14(13)18(21)24/h3-9H,10H2,1-2H3.
What are the key properties of N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)acetamide?
N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 403.23 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 1039641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).