2-chloro-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-fluorophenyl)benzamide

C23H16ClFN2O3 — CID 2342263

IUPAC2-chloro-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-fluorophenyl)benzamide
SMILESO=C1c2ccccc2C(=O)N1CCN(C(=O)c1ccccc1Cl)c1cccc(F)c1
InChIInChI=1S/C23H16ClFN2O3/c24-20-11-4-3-10-19(20)23(30)26(16-7-5-6-15(25)14-16)12-13-27-21(28)17-8-1-2-9-18(17)22(27)29/h1-11,14H,12-13H2
InChIKeyUPUJSBAZUHTXSD-UHFFFAOYSA-N
MW422.84 g/mol
LogP4.42
Rot. Bonds5

About 2-chloro-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-fluorophenyl)benzamide

2-chloro-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-fluorophenyl)benzamide (PubChem CID 2342263) has the molecular formula C23H16ClFN2O3 and a molecular weight of 422.84 g/mol. Its IUPAC name is 2-chloro-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-fluorophenyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-fluorophenyl)benzamide
PubChem CID2342263
Molecular FormulaC23H16ClFN2O3
Molecular Weight422.84 g/mol
Exact Mass422.08
IUPAC Name2-chloro-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-fluorophenyl)benzamide
SMILESO=C1c2ccccc2C(=O)N1CCN(C(=O)c1ccccc1Cl)c1cccc(F)c1
InChIInChI=1S/C23H16ClFN2O3/c24-20-11-4-3-10-19(20)23(30)26(16-7-5-6-15(25)14-16)12-13-27-21(28)17-8-1-2-9-18(17)22(27)29/h1-11,14H,12-13H2
InChIKeyUPUJSBAZUHTXSD-UHFFFAOYSA-N
XLogP4.42
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.84
LogP ≤ 54.42
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-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-(3-fluorophenyl)-2,4-dinitrobenzamide
CID 5031547
N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-2-fluorobenzamide
CID 2296999
2-chloro-N-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-N-(4-phenoxyphenyl)benzamide
CID 46496504
N-[2-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)ethyl]-N-(3-fluorophenyl)-3,5-dimethoxybenzamide
CID 4042297
4-bromo-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-phenylbenzamide
CID 4528912
N-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 3423087
3-bromo-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methoxyphenyl)benzamide
CID 2342210
2-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]-N-(3-fluorophenyl)acetamide
CID 9250562
3-chloro-N-ethyl-N-(3-fluorophenyl)pyridine-4-carboxamide
CID 66482587
4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methylphenyl)benzamide
CID 3914689
N-[(5-acetamido-1,3-dioxoisoindol-2-yl)methyl]-N-(3-fluorophenyl)benzamide
CID 23938154
ethyl 4-[(2-chlorobenzoyl)-[(1,3-dioxoisoindol-2-yl)methyl]amino]benzoate
CID 3959049

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-fluorophenyl)benzamide?
The IUPAC name of 2-chloro-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-fluorophenyl)benzamide (CID 2342263) is 2-chloro-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-fluorophenyl)benzamide.
What is the SMILES notation for 2-chloro-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-fluorophenyl)benzamide?
The canonical SMILES for 2-chloro-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-fluorophenyl)benzamide is O=C1c2ccccc2C(=O)N1CCN(C(=O)c1ccccc1Cl)c1cccc(F)c1.
What is the InChIKey of 2-chloro-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-fluorophenyl)benzamide?
The InChIKey is UPUJSBAZUHTXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN2O3/c24-20-11-4-3-10-19(20)23(30)26(16-7-5-6-15(25)14-16)12-13-27-21(28)17-8-1-2-9-18(17)22(27)29/h1-11,14H,12-13H2.
What are the key properties of 2-chloro-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-fluorophenyl)benzamide?
2-chloro-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-fluorophenyl)benzamide has a molecular weight of 422.84 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-fluorophenyl)benzamide is sourced from PubChem (CID 2342263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).