3-(4-chlorophenyl)-2,3-dihydroisoindol-1-one

C14H10ClNO — CID 5073852

IUPAC3-(4-chlorophenyl)-2,3-dihydroisoindol-1-one
SMILESO=C1NC(c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C14H10ClNO/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(17)16-13/h1-8,13H,(H,16,17)
InChIKeyOMUHBVDRMKRVLW-UHFFFAOYSA-N
MW243.69 g/mol
LogP3.17
Rot. Bonds1

About 3-(4-chlorophenyl)-2,3-dihydroisoindol-1-one

3-(4-chlorophenyl)-2,3-dihydroisoindol-1-one (PubChem CID 5073852) has the molecular formula C14H10ClNO and a molecular weight of 243.69 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2,3-dihydroisoindol-1-one
PubChem CID5073852
Molecular FormulaC14H10ClNO
Molecular Weight243.69 g/mol
Exact Mass243.05
IUPAC Name3-(4-chlorophenyl)-2,3-dihydroisoindol-1-one
SMILESO=C1NC(c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C14H10ClNO/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(17)16-13/h1-8,13H,(H,16,17)
InChIKeyOMUHBVDRMKRVLW-UHFFFAOYSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 3-(4-chlorophenyl)-2,3-dihydroisoindol-1-one (CID 5073852) is 3-(4-chlorophenyl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-2,3-dihydroisoindol-1-one is O=C1NC(c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of 3-(4-chlorophenyl)-2,3-dihydroisoindol-1-one?
The InChIKey is OMUHBVDRMKRVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(17)16-13/h1-8,13H,(H,16,17).
What are the key properties of 3-(4-chlorophenyl)-2,3-dihydroisoindol-1-one?
3-(4-chlorophenyl)-2,3-dihydroisoindol-1-one has a molecular weight of 243.69 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 5073852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).