N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(4-phenoxyphenyl)acetamide

C23H17BrN2O4 — CID 1070738

IUPACN-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(4-phenoxyphenyl)acetamide
SMILESCC(=O)N(CN1C(=O)c2ccc(Br)cc2C1=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H17BrN2O4/c1-15(27)25(14-26-22(28)20-12-7-16(24)13-21(20)23(26)29)17-8-10-19(11-9-17)30-18-5-3-2-4-6-18/h2-13H,14H2,1H3
InChIKeyKDPWMSDXSLFDCQ-UHFFFAOYSA-N
MW465.30 g/mol
LogP4.85
Rot. Bonds5

About N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(4-phenoxyphenyl)acetamide

N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(4-phenoxyphenyl)acetamide (PubChem CID 1070738) has the molecular formula C23H17BrN2O4 and a molecular weight of 465.30 g/mol. Its IUPAC name is N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(4-phenoxyphenyl)acetamide
PubChem CID1070738
Molecular FormulaC23H17BrN2O4
Molecular Weight465.30 g/mol
Exact Mass464.04
IUPAC NameN-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(4-phenoxyphenyl)acetamide
SMILESCC(=O)N(CN1C(=O)c2ccc(Br)cc2C1=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H17BrN2O4/c1-15(27)25(14-26-22(28)20-12-7-16(24)13-21(20)23(26)29)17-8-10-19(11-9-17)30-18-5-3-2-4-6-18/h2-13H,14H2,1H3
InChIKeyKDPWMSDXSLFDCQ-UHFFFAOYSA-N
XLogP4.85
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.30
LogP ≤ 54.85
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-fluorophenyl)acetamide
CID 988823
N-(3-acetylphenyl)-N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]acetamide
CID 44722626
N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)acetamide
CID 1039641
N-[(1,3-dioxoisoindol-2-yl)methyl]-3-methyl-N-(4-phenoxyphenyl)benzamide
CID 4644831
N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-phenoxyphenyl)acetamide
CID 1159356
2-(1,3-dioxo-5-phenoxyisoindol-2-yl)acetic acid
CID 66713203
5-bromo-2-(2-oxopropyl)isoindole-1,3-dione
CID 71186577
N-(4-bromophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide
CID 1159357
2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide
CID 2326703
N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)-4-nitrobenzamide
CID 17385252
N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)acetamide
CID 1048581
N-(4-bromophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide
CID 4262657

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(4-phenoxyphenyl)acetamide (CID 1070738) is N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(4-phenoxyphenyl)acetamide is CC(=O)N(CN1C(=O)c2ccc(Br)cc2C1=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is KDPWMSDXSLFDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrN2O4/c1-15(27)25(14-26-22(28)20-12-7-16(24)13-21(20)23(26)29)17-8-10-19(11-9-17)30-18-5-3-2-4-6-18/h2-13H,14H2,1H3.
What are the key properties of N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(4-phenoxyphenyl)acetamide?
N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 465.30 g/mol, XLogP of 4.85, 5 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-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 1070738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).