2-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-3-oxo-1H-isoindole-1-carboxamide

C23H18ClFN2O3 — CID 68771481

IUPAC2-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-3-oxo-1H-isoindole-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1c2ccc(O)cc2C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C23H18ClFN2O3/c24-16-5-1-15(2-6-16)13-27-21(19-10-9-18(28)11-20(19)23(27)30)22(29)26-12-14-3-7-17(25)8-4-14/h1-11,21,28H,12-13H2,(H,26,29)
InChIKeyBURYHIVUPADNRU-UHFFFAOYSA-N
MW424.86 g/mol
LogP4.20
Rot. Bonds5

About 2-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-3-oxo-1H-isoindole-1-carboxamide

2-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-3-oxo-1H-isoindole-1-carboxamide (PubChem CID 68771481) has the molecular formula C23H18ClFN2O3 and a molecular weight of 424.86 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-3-oxo-1H-isoindole-1-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-3-oxo-1H-isoindole-1-carboxamide
PubChem CID68771481
Molecular FormulaC23H18ClFN2O3
Molecular Weight424.86 g/mol
Exact Mass424.10
IUPAC Name2-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-3-oxo-1H-isoindole-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1c2ccc(O)cc2C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C23H18ClFN2O3/c24-16-5-1-15(2-6-16)13-27-21(19-10-9-18(28)11-20(19)23(27)30)22(29)26-12-14-3-7-17(25)8-4-14/h1-11,21,28H,12-13H2,(H,26,29)
InChIKeyBURYHIVUPADNRU-UHFFFAOYSA-N
XLogP4.20
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.86
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-3-oxo-1H-isoindole-1-carboxamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-3-oxo-1H-isoindole-1-carboxamide (CID 68771481) is 2-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-3-oxo-1H-isoindole-1-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-3-oxo-1H-isoindole-1-carboxamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-3-oxo-1H-isoindole-1-carboxamide is O=C(NCc1ccc(F)cc1)C1c2ccc(O)cc2C(=O)N1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-3-oxo-1H-isoindole-1-carboxamide?
The InChIKey is BURYHIVUPADNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN2O3/c24-16-5-1-15(2-6-16)13-27-21(19-10-9-18(28)11-20(19)23(27)30)22(29)26-12-14-3-7-17(25)8-4-14/h1-11,21,28H,12-13H2,(H,26,29).
What are the key properties of 2-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-3-oxo-1H-isoindole-1-carboxamide?
2-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-3-oxo-1H-isoindole-1-carboxamide has a molecular weight of 424.86 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-3-oxo-1H-isoindole-1-carboxamide is sourced from PubChem (CID 68771481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).