3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-6-prop-1-en-2-yl-3H-isoindol-1-one

C24H19Cl2NO — CID 175831742

IUPAC3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-6-prop-1-en-2-yl-3H-isoindol-1-one
SMILESC=C(C)c1ccc2c(c1)C(=O)N(Cc1ccc(Cl)cc1)C2c1ccc(Cl)cc1
InChIInChI=1S/C24H19Cl2NO/c1-15(2)18-7-12-21-22(13-18)24(28)27(14-16-3-8-19(25)9-4-16)23(21)17-5-10-20(26)11-6-17/h3-13,23H,1,14H2,2H3
InChIKeyMNQZQNHWRGXJBU-UHFFFAOYSA-N
MW408.33 g/mol
LogP6.77
Rot. Bonds4

About 3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-6-prop-1-en-2-yl-3H-isoindol-1-one

3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-6-prop-1-en-2-yl-3H-isoindol-1-one (PubChem CID 175831742) has the molecular formula C24H19Cl2NO and a molecular weight of 408.33 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-6-prop-1-en-2-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-6-prop-1-en-2-yl-3H-isoindol-1-one
PubChem CID175831742
Molecular FormulaC24H19Cl2NO
Molecular Weight408.33 g/mol
Exact Mass407.08
IUPAC Name3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-6-prop-1-en-2-yl-3H-isoindol-1-one
SMILESC=C(C)c1ccc2c(c1)C(=O)N(Cc1ccc(Cl)cc1)C2c1ccc(Cl)cc1
InChIInChI=1S/C24H19Cl2NO/c1-15(2)18-7-12-21-22(13-18)24(28)27(14-16-3-8-19(25)9-4-16)23(21)17-5-10-20(26)11-6-17/h3-13,23H,1,14H2,2H3
InChIKeyMNQZQNHWRGXJBU-UHFFFAOYSA-N
XLogP6.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.33
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-[(4-chlorophenyl)methyl]-2-(4-ethylphenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one
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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-6-prop-1-en-2-yl-3H-isoindol-1-one?
The IUPAC name of 3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-6-prop-1-en-2-yl-3H-isoindol-1-one (CID 175831742) is 3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-6-prop-1-en-2-yl-3H-isoindol-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-6-prop-1-en-2-yl-3H-isoindol-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-6-prop-1-en-2-yl-3H-isoindol-1-one is C=C(C)c1ccc2c(c1)C(=O)N(Cc1ccc(Cl)cc1)C2c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-6-prop-1-en-2-yl-3H-isoindol-1-one?
The InChIKey is MNQZQNHWRGXJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2NO/c1-15(2)18-7-12-21-22(13-18)24(28)27(14-16-3-8-19(25)9-4-16)23(21)17-5-10-20(26)11-6-17/h3-13,23H,1,14H2,2H3.
What are the key properties of 3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-6-prop-1-en-2-yl-3H-isoindol-1-one?
3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-6-prop-1-en-2-yl-3H-isoindol-1-one has a molecular weight of 408.33 g/mol, XLogP of 6.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-6-prop-1-en-2-yl-3H-isoindol-1-one is sourced from PubChem (CID 175831742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).