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'}

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Related Compounds

5-chloro-2-[(4-ethylphenyl)methyl]-7-(trifluoromethyl)-1,3-dihydroisoindole-1-carbaldehyde
CID 174526594
2-[(4-chlorophenyl)methyl]-4-fluoro-1,3-dihydroisoindole-1-carbaldehyde
CID 174539995
7-chloro-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-dihydroisoindole-1-carbaldehyde
CID 174539886
7-chloro-5-(pyridin-2-ylmethoxy)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-dihydroisoindole-1-carbaldehyde
CID 174526614
3-[(4-chlorophenyl)methyl]imidazolidine-4-carbaldehyde
CID 151431548
7-methyl-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-dihydroisoindole-1-carbaldehyde
CID 174560848
9-amino-2-[(3-chloro-4-methoxyphenyl)methyl]-5-(3-fluoro-5-methoxyphenyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
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1-[(4-chlorophenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine
CID 64837785
[2-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine
CID 107881906
4-chloro-2-[[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-1-carbaldehyde
CID 174801615
1-[(3-chloro-4-fluorophenyl)methyl]azetidine
CID 126990716
(4aS,7aS)-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-6,6-dioxo-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin-3-one
CID 100891080

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).