(2R)-N-(4-bromo-2-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide

C23H18BrFN2O2 — CID 92688537

IUPAC(2R)-N-(4-bromo-2-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
SMILESO=C(Nc1ccc(Br)cc1F)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C23H18BrFN2O2/c24-17-10-11-20(19(25)13-17)26-22(28)21(12-15-6-2-1-3-7-15)27-14-16-8-4-5-9-18(16)23(27)29/h1-11,13,21H,12,14H2,(H,26,28)/t21-/m1/s1
InChIKeyXILOJEBBGVWMOT-OAQYLSRUSA-N
MW453.31 g/mol
LogP4.79
Rot. Bonds5

About (2R)-N-(4-bromo-2-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide

(2R)-N-(4-bromo-2-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide (PubChem CID 92688537) has the molecular formula C23H18BrFN2O2 and a molecular weight of 453.31 g/mol. Its IUPAC name is (2R)-N-(4-bromo-2-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-(4-bromo-2-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
PubChem CID92688537
Molecular FormulaC23H18BrFN2O2
Molecular Weight453.31 g/mol
Exact Mass452.05
IUPAC Name(2R)-N-(4-bromo-2-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
SMILESO=C(Nc1ccc(Br)cc1F)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C23H18BrFN2O2/c24-17-10-11-20(19(25)13-17)26-22(28)21(12-15-6-2-1-3-7-15)27-14-16-8-4-5-9-18(16)23(27)29/h1-11,13,21H,12,14H2,(H,26,28)/t21-/m1/s1
InChIKeyXILOJEBBGVWMOT-OAQYLSRUSA-N
XLogP4.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.31
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(2,4-dimethylphenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 92688551
N-[4-(diethylamino)-2-methylphenyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 20905633
(2S)-N-(2,4-dimethoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 20862776
N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 20905614
methyl 2-(6-bromo-3-oxo-1H-isoindol-2-yl)-3-phenylpropanoate
CID 123192401
ethyl 2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoyl]amino]benzoate
CID 92688583
2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenoxyphenyl)-3-phenylpropanamide
CID 56933248
(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 92688600
N-(2-methylpropyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 71947985
(2R)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 92688547
(2S)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide
CID 92688536
(2R)-N-(2-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 985938

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-bromo-2-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide?
The IUPAC name of (2R)-N-(4-bromo-2-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide (CID 92688537) is (2R)-N-(4-bromo-2-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for (2R)-N-(4-bromo-2-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide?
The canonical SMILES for (2R)-N-(4-bromo-2-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide is O=C(Nc1ccc(Br)cc1F)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O.
What is the InChIKey of (2R)-N-(4-bromo-2-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide?
The InChIKey is XILOJEBBGVWMOT-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H18BrFN2O2/c24-17-10-11-20(19(25)13-17)26-22(28)21(12-15-6-2-1-3-7-15)27-14-16-8-4-5-9-18(16)23(27)29/h1-11,13,21H,12,14H2,(H,26,28)/t21-/m1/s1.
What are the key properties of (2R)-N-(4-bromo-2-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide?
(2R)-N-(4-bromo-2-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide has a molecular weight of 453.31 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-bromo-2-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 92688537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).