N-(4-bromophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide

C22H14BrFN2O3 — CID 4262657

IUPACN-(4-bromophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide
SMILESO=C1c2ccccc2C(=O)N1CN(C(=O)c1ccccc1F)c1ccc(Br)cc1
InChIInChI=1S/C22H14BrFN2O3/c23-14-9-11-15(12-10-14)25(22(29)18-7-3-4-8-19(18)24)13-26-20(27)16-5-1-2-6-17(16)21(26)28/h1-12H,13H2
InChIKeyFTLKAIUFGTWOPE-UHFFFAOYSA-N
MW453.27 g/mol
LogP4.49
Rot. Bonds4

About N-(4-bromophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide

N-(4-bromophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide (PubChem CID 4262657) has the molecular formula C22H14BrFN2O3 and a molecular weight of 453.27 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide
PubChem CID4262657
Molecular FormulaC22H14BrFN2O3
Molecular Weight453.27 g/mol
Exact Mass452.02
IUPAC NameN-(4-bromophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide
SMILESO=C1c2ccccc2C(=O)N1CN(C(=O)c1ccccc1F)c1ccc(Br)cc1
InChIInChI=1S/C22H14BrFN2O3/c23-14-9-11-15(12-10-14)25(22(29)18-7-3-4-8-19(18)24)13-26-20(27)16-5-1-2-6-17(16)21(26)28/h1-12H,13H2
InChIKeyFTLKAIUFGTWOPE-UHFFFAOYSA-N
XLogP4.49
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.27
LogP ≤ 54.49
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-(4-bromophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide
CID 1159357
N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-2-fluorobenzamide
CID 2296999
2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide
CID 2326703
N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-ethoxyphenyl)-2-fluorobenzamide
CID 4282369
4-bromo-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-phenylbenzamide
CID 4528912
ethyl 4-[(2-chlorobenzoyl)-[(1,3-dioxoisoindol-2-yl)methyl]amino]benzoate
CID 3959049
N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)acetamide
CID 988823
N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)-4-nitrobenzamide
CID 17385252
N-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylfuran-2-carboxamide
CID 4265825
N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide
CID 4219346
N-(2-aminoethyl)-2-fluoro-N-(4-fluorophenyl)benzamide
CID 28769276
N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]-N-(4-phenoxyphenyl)acetamide
CID 1070738

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide?
The IUPAC name of N-(4-bromophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide (CID 4262657) is N-(4-bromophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide.
What is the SMILES notation for N-(4-bromophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide?
The canonical SMILES for N-(4-bromophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide is O=C1c2ccccc2C(=O)N1CN(C(=O)c1ccccc1F)c1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide?
The InChIKey is FTLKAIUFGTWOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrFN2O3/c23-14-9-11-15(12-10-14)25(22(29)18-7-3-4-8-19(18)24)13-26-20(27)16-5-1-2-6-17(16)21(26)28/h1-12H,13H2.
What are the key properties of N-(4-bromophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide?
N-(4-bromophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide has a molecular weight of 453.27 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 4262657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).