2-[4-chloro-5-[2-chloro-2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-2-methylphenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione

C20H24Cl2NO2P — CID 59932910

IUPAC2-[4-chloro-5-[2-chloro-2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-2-methylphenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione
SMILESC=P(C)(C)C(Cl)Cc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(C)cc1Cl
InChIInChI=1S/C20H24Cl2NO2P/c1-12-9-16(21)13(11-18(22)26(2,3)4)10-17(12)23-19(24)14-7-5-6-8-15(14)20(23)25/h9-10,18H,2,5-8,11H2,1,3-4H3
InChIKeySBLNAAMMPURMQM-UHFFFAOYSA-N
MW412.30 g/mol
LogP5.21
Rot. Bonds4

About 2-[4-chloro-5-[2-chloro-2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-2-methylphenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione

2-[4-chloro-5-[2-chloro-2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-2-methylphenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione (PubChem CID 59932910) has the molecular formula C20H24Cl2NO2P and a molecular weight of 412.30 g/mol. Its IUPAC name is 2-[4-chloro-5-[2-chloro-2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-2-methylphenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-chloro-5-[2-chloro-2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-2-methylphenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione
PubChem CID59932910
Molecular FormulaC20H24Cl2NO2P
Molecular Weight412.30 g/mol
Exact Mass411.09
IUPAC Name2-[4-chloro-5-[2-chloro-2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-2-methylphenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione
SMILESC=P(C)(C)C(Cl)Cc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(C)cc1Cl
InChIInChI=1S/C20H24Cl2NO2P/c1-12-9-16(21)13(11-18(22)26(2,3)4)10-17(12)23-19(24)14-7-5-6-8-15(14)20(23)25/h9-10,18H,2,5-8,11H2,1,3-4H3
InChIKeySBLNAAMMPURMQM-UHFFFAOYSA-N
XLogP5.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.30
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-[2-chloro-2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-2-methylphenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione?
The IUPAC name of 2-[4-chloro-5-[2-chloro-2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-2-methylphenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione (CID 59932910) is 2-[4-chloro-5-[2-chloro-2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-2-methylphenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione.
What is the SMILES notation for 2-[4-chloro-5-[2-chloro-2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-2-methylphenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione?
The canonical SMILES for 2-[4-chloro-5-[2-chloro-2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-2-methylphenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione is C=P(C)(C)C(Cl)Cc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(C)cc1Cl.
What is the InChIKey of 2-[4-chloro-5-[2-chloro-2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-2-methylphenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione?
The InChIKey is SBLNAAMMPURMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2NO2P/c1-12-9-16(21)13(11-18(22)26(2,3)4)10-17(12)23-19(24)14-7-5-6-8-15(14)20(23)25/h9-10,18H,2,5-8,11H2,1,3-4H3.
What are the key properties of 2-[4-chloro-5-[2-chloro-2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-2-methylphenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione?
2-[4-chloro-5-[2-chloro-2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-2-methylphenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione has a molecular weight of 412.30 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-[2-chloro-2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-2-methylphenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione is sourced from PubChem (CID 59932910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).