7-chloro-2-[(4-chlorophenyl)methyl]-5-fluoro-1,3-dihydroisoindole-1-carbaldehyde

C16H12Cl2FNO — CID 174539901

IUPAC7-chloro-2-[(4-chlorophenyl)methyl]-5-fluoro-1,3-dihydroisoindole-1-carbaldehyde
SMILESO=CC1c2c(Cl)cc(F)cc2CN1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl2FNO/c17-12-3-1-10(2-4-12)7-20-8-11-5-13(19)6-14(18)16(11)15(20)9-21/h1-6,9,15H,7-8H2
InChIKeyMLESDZVNFMQHBG-UHFFFAOYSA-N
MW324.18 g/mol
LogP4.39
Rot. Bonds3

About 7-chloro-2-[(4-chlorophenyl)methyl]-5-fluoro-1,3-dihydroisoindole-1-carbaldehyde

7-chloro-2-[(4-chlorophenyl)methyl]-5-fluoro-1,3-dihydroisoindole-1-carbaldehyde (PubChem CID 174539901) has the molecular formula C16H12Cl2FNO and a molecular weight of 324.18 g/mol. Its IUPAC name is 7-chloro-2-[(4-chlorophenyl)methyl]-5-fluoro-1,3-dihydroisoindole-1-carbaldehyde.

Molecular Properties

Compound Name7-chloro-2-[(4-chlorophenyl)methyl]-5-fluoro-1,3-dihydroisoindole-1-carbaldehyde
PubChem CID174539901
Molecular FormulaC16H12Cl2FNO
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name7-chloro-2-[(4-chlorophenyl)methyl]-5-fluoro-1,3-dihydroisoindole-1-carbaldehyde
SMILESO=CC1c2c(Cl)cc(F)cc2CN1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl2FNO/c17-12-3-1-10(2-4-12)7-20-8-11-5-13(19)6-14(18)16(11)15(20)9-21/h1-6,9,15H,7-8H2
InChIKeyMLESDZVNFMQHBG-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-chloro-2-[(4-chlorophenyl)methyl]-5-fluoro-1,3-dihydroisoindole-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(4-chlorophenyl)methyl]-5-fluoro-1,3-dihydroisoindole-1-carbaldehyde?
The IUPAC name of 7-chloro-2-[(4-chlorophenyl)methyl]-5-fluoro-1,3-dihydroisoindole-1-carbaldehyde (CID 174539901) is 7-chloro-2-[(4-chlorophenyl)methyl]-5-fluoro-1,3-dihydroisoindole-1-carbaldehyde.
What is the SMILES notation for 7-chloro-2-[(4-chlorophenyl)methyl]-5-fluoro-1,3-dihydroisoindole-1-carbaldehyde?
The canonical SMILES for 7-chloro-2-[(4-chlorophenyl)methyl]-5-fluoro-1,3-dihydroisoindole-1-carbaldehyde is O=CC1c2c(Cl)cc(F)cc2CN1Cc1ccc(Cl)cc1.
What is the InChIKey of 7-chloro-2-[(4-chlorophenyl)methyl]-5-fluoro-1,3-dihydroisoindole-1-carbaldehyde?
The InChIKey is MLESDZVNFMQHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FNO/c17-12-3-1-10(2-4-12)7-20-8-11-5-13(19)6-14(18)16(11)15(20)9-21/h1-6,9,15H,7-8H2.
What are the key properties of 7-chloro-2-[(4-chlorophenyl)methyl]-5-fluoro-1,3-dihydroisoindole-1-carbaldehyde?
7-chloro-2-[(4-chlorophenyl)methyl]-5-fluoro-1,3-dihydroisoindole-1-carbaldehyde has a molecular weight of 324.18 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(4-chlorophenyl)methyl]-5-fluoro-1,3-dihydroisoindole-1-carbaldehyde is sourced from PubChem (CID 174539901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).