7-chloro-2-[1-(4-chlorophenyl)ethyl]-1,3-dihydroisoindole-1-carbaldehyde

C17H15Cl2NO — CID 174526543

IUPAC7-chloro-2-[1-(4-chlorophenyl)ethyl]-1,3-dihydroisoindole-1-carbaldehyde
SMILESCC(c1ccc(Cl)cc1)N1Cc2cccc(Cl)c2C1C=O
InChIInChI=1S/C17H15Cl2NO/c1-11(12-5-7-14(18)8-6-12)20-9-13-3-2-4-15(19)17(13)16(20)10-21/h2-8,10-11,16H,9H2,1H3
InChIKeyOHEIFLZPKKLJED-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.81
Rot. Bonds3

About 7-chloro-2-[1-(4-chlorophenyl)ethyl]-1,3-dihydroisoindole-1-carbaldehyde

7-chloro-2-[1-(4-chlorophenyl)ethyl]-1,3-dihydroisoindole-1-carbaldehyde (PubChem CID 174526543) has the molecular formula C17H15Cl2NO and a molecular weight of 320.22 g/mol. Its IUPAC name is 7-chloro-2-[1-(4-chlorophenyl)ethyl]-1,3-dihydroisoindole-1-carbaldehyde.

Molecular Properties

Compound Name7-chloro-2-[1-(4-chlorophenyl)ethyl]-1,3-dihydroisoindole-1-carbaldehyde
PubChem CID174526543
Molecular FormulaC17H15Cl2NO
Molecular Weight320.22 g/mol
Exact Mass319.05
IUPAC Name7-chloro-2-[1-(4-chlorophenyl)ethyl]-1,3-dihydroisoindole-1-carbaldehyde
SMILESCC(c1ccc(Cl)cc1)N1Cc2cccc(Cl)c2C1C=O
InChIInChI=1S/C17H15Cl2NO/c1-11(12-5-7-14(18)8-6-12)20-9-13-3-2-4-15(19)17(13)16(20)10-21/h2-8,10-11,16H,9H2,1H3
InChIKeyOHEIFLZPKKLJED-UHFFFAOYSA-N
XLogP4.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-Chloro-2-[1-(2,5-difluorophenyl)-4-trimethylsilylbut-3-ynyl]-4-fluoro-1,3-dihydroisoindole-1-carbaldehyde
CID 174052780
7-chloro-2-cyclopropyl-5-fluoro-1-methyl-3H-isoindole-1-carbaldehyde
CID 174526558
5-Chloro-2-(cyclopropylmethyl)-7-(trifluoromethyl)-1,3-dihydroisoindole-1-carbaldehyde
CID 174526566
2-[(4-Chlorophenyl)methyl]-5-fluoro-7-(trifluoromethyl)-1,3-dihydroisoindole-1-carbaldehyde
CID 174526586
5-Chloro-2-[(4-ethylphenyl)methyl]-7-(trifluoromethyl)-1,3-dihydroisoindole-1-carbaldehyde
CID 174526594
7-Chloro-5-ethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole-1-carbaldehyde
CID 174526613
7-Chloro-2-[(4-ethylphenyl)methyl]-5-fluoro-1,3-dihydroisoindole-1-carbaldehyde
CID 174526637
2-[(4-Chlorophenyl)methyl]-5-fluoro-7-iodo-1,3-dihydroisoindole-1-carbaldehyde
CID 174526677
7-Chloro-5-ethyl-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole-1-carbaldehyde
CID 174526691
7-Chloro-2-[(4-chlorophenyl)methyl]-5-fluoro-1,3-dihydroisoindole-1-carbaldehyde
CID 174539901
7-Chloro-5-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole-1-carbaldehyde
CID 174539958
2-[(4-Chlorophenyl)methyl]-4-fluoro-1,3-dihydroisoindole-1-carbaldehyde
CID 174539995

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[1-(4-chlorophenyl)ethyl]-1,3-dihydroisoindole-1-carbaldehyde?
The IUPAC name of 7-chloro-2-[1-(4-chlorophenyl)ethyl]-1,3-dihydroisoindole-1-carbaldehyde (CID 174526543) is 7-chloro-2-[1-(4-chlorophenyl)ethyl]-1,3-dihydroisoindole-1-carbaldehyde.
What is the SMILES notation for 7-chloro-2-[1-(4-chlorophenyl)ethyl]-1,3-dihydroisoindole-1-carbaldehyde?
The canonical SMILES for 7-chloro-2-[1-(4-chlorophenyl)ethyl]-1,3-dihydroisoindole-1-carbaldehyde is CC(c1ccc(Cl)cc1)N1Cc2cccc(Cl)c2C1C=O.
What is the InChIKey of 7-chloro-2-[1-(4-chlorophenyl)ethyl]-1,3-dihydroisoindole-1-carbaldehyde?
The InChIKey is OHEIFLZPKKLJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO/c1-11(12-5-7-14(18)8-6-12)20-9-13-3-2-4-15(19)17(13)16(20)10-21/h2-8,10-11,16H,9H2,1H3.
What are the key properties of 7-chloro-2-[1-(4-chlorophenyl)ethyl]-1,3-dihydroisoindole-1-carbaldehyde?
7-chloro-2-[1-(4-chlorophenyl)ethyl]-1,3-dihydroisoindole-1-carbaldehyde has a molecular weight of 320.22 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[1-(4-chlorophenyl)ethyl]-1,3-dihydroisoindole-1-carbaldehyde is sourced from PubChem (CID 174526543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).