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

C17H12BrFN2O3 — CID 988823

IUPACN-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)acetamide
SMILESCC(=O)N(CN1C(=O)c2ccc(Br)cc2C1=O)c1ccc(F)cc1
InChIInChI=1S/C17H12BrFN2O3/c1-10(22)20(13-5-3-12(19)4-6-13)9-21-16(23)14-7-2-11(18)8-15(14)17(21)24/h2-8H,9H2,1H3
InChIKeyNATYKZMBNUQLLM-UHFFFAOYSA-N
MW391.20 g/mol
LogP3.19
Rot. Bonds3

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

N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)acetamide (PubChem CID 988823) has the molecular formula C17H12BrFN2O3 and a molecular weight of 391.20 g/mol. Its IUPAC name is N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)acetamide
PubChem CID988823
Molecular FormulaC17H12BrFN2O3
Molecular Weight391.20 g/mol
Exact Mass390.00
IUPAC NameN-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)acetamide
SMILESCC(=O)N(CN1C(=O)c2ccc(Br)cc2C1=O)c1ccc(F)cc1
InChIInChI=1S/C17H12BrFN2O3/c1-10(22)20(13-5-3-12(19)4-6-13)9-21-16(23)14-7-2-11(18)8-15(14)17(21)24/h2-8H,9H2,1H3
InChIKeyNATYKZMBNUQLLM-UHFFFAOYSA-N
XLogP3.19
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.20
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3-acetylphenyl)-N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]acetamide
CID 44722626
N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)-4-nitrobenzamide
CID 17385252
N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)acetamide
CID 1039641
5-bromo-2-(2-oxopropyl)isoindole-1,3-dione
CID 71186577
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)acetamide
CID 42052502
N-(3-fluorophenyl)-N-[(5-nitro-1,3-dioxoisoindol-2-yl)methyl]acetamide
CID 1125833
N-(4-bromophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide
CID 1159357
N-(4-bromophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide
CID 4262657
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 30433144
5-bromo-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110839302
sodium 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate
CID 19205606

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)acetamide (CID 988823) is N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)acetamide is CC(=O)N(CN1C(=O)c2ccc(Br)cc2C1=O)c1ccc(F)cc1.
What is the InChIKey of N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)acetamide?
The InChIKey is NATYKZMBNUQLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFN2O3/c1-10(22)20(13-5-3-12(19)4-6-13)9-21-16(23)14-7-2-11(18)8-15(14)17(21)24/h2-8H,9H2,1H3.
What are the key properties of N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)acetamide?
N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)acetamide has a molecular weight of 391.20 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 988823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).