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

C18H16Cl2FNO — CID 174540073

IUPAC7-chloro-2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-1,3-dihydroisoindole-1-carbaldehyde
SMILESCC(Cc1ccc(Cl)cc1)N1Cc2cc(F)cc(Cl)c2C1C=O
InChIInChI=1S/C18H16Cl2FNO/c1-11(6-12-2-4-14(19)5-3-12)22-9-13-7-15(21)8-16(20)18(13)17(22)10-23/h2-5,7-8,10-11,17H,6,9H2,1H3
InChIKeyQHMKFYAWLLRYTE-UHFFFAOYSA-N
MW352.24 g/mol
LogP4.82
Rot. Bonds4

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

7-chloro-2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-1,3-dihydroisoindole-1-carbaldehyde (PubChem CID 174540073) has the molecular formula C18H16Cl2FNO and a molecular weight of 352.24 g/mol. Its IUPAC name is 7-chloro-2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-1,3-dihydroisoindole-1-carbaldehyde.

Molecular Properties

Compound Name7-chloro-2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-1,3-dihydroisoindole-1-carbaldehyde
PubChem CID174540073
Molecular FormulaC18H16Cl2FNO
Molecular Weight352.24 g/mol
Exact Mass351.06
IUPAC Name7-chloro-2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-1,3-dihydroisoindole-1-carbaldehyde
SMILESCC(Cc1ccc(Cl)cc1)N1Cc2cc(F)cc(Cl)c2C1C=O
InChIInChI=1S/C18H16Cl2FNO/c1-11(6-12-2-4-14(19)5-3-12)22-9-13-7-15(21)8-16(20)18(13)17(22)10-23/h2-5,7-8,10-11,17H,6,9H2,1H3
InChIKeyQHMKFYAWLLRYTE-UHFFFAOYSA-N
XLogP4.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 54.82
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

7-chloro-2-[(1S)-1-(4-chlorophenyl)ethyl]-5-fluoro-3H-isoindol-1-one
CID 57949718
7-chloro-2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-3H-isoindol-1-one
CID 67251253
2-[1-Benzyl-4-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]acetaldehyde
CID 87252561
6-Chloro-2-[1-(2,5-difluorophenyl)-4-trimethylsilylbut-3-ynyl]-4-fluoro-1,3-dihydroisoindole-1-carbaldehyde
CID 174052780
5-Chloro-2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]-1,3-dihydroisoindole-1-carbaldehyde
CID 174456431
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-Benzyl-6-fluoro-1,3-dihydroisoindole-1-carbaldehyde
CID 174526667

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-1,3-dihydroisoindole-1-carbaldehyde?
The IUPAC name of 7-chloro-2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-1,3-dihydroisoindole-1-carbaldehyde (CID 174540073) is 7-chloro-2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-1,3-dihydroisoindole-1-carbaldehyde.
What is the SMILES notation for 7-chloro-2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-1,3-dihydroisoindole-1-carbaldehyde?
The canonical SMILES for 7-chloro-2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-1,3-dihydroisoindole-1-carbaldehyde is CC(Cc1ccc(Cl)cc1)N1Cc2cc(F)cc(Cl)c2C1C=O.
What is the InChIKey of 7-chloro-2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-1,3-dihydroisoindole-1-carbaldehyde?
The InChIKey is QHMKFYAWLLRYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2FNO/c1-11(6-12-2-4-14(19)5-3-12)22-9-13-7-15(21)8-16(20)18(13)17(22)10-23/h2-5,7-8,10-11,17H,6,9H2,1H3.
What are the key properties of 7-chloro-2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-1,3-dihydroisoindole-1-carbaldehyde?
7-chloro-2-[1-(4-chlorophenyl)propan-2-yl]-5-fluoro-1,3-dihydroisoindole-1-carbaldehyde has a molecular weight of 352.24 g/mol, XLogP of 4.82, 4 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)propan-2-yl]-5-fluoro-1,3-dihydroisoindole-1-carbaldehyde is sourced from PubChem (CID 174540073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).