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

C14H10ClNO — CID 22561798

IUPAC4-(3-chlorophenyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(cccc2-c2cccc(Cl)c2)N1
InChIInChI=1S/C14H10ClNO/c15-10-4-1-3-9(7-10)11-5-2-6-13-12(11)8-14(17)16-13/h1-7H,8H2,(H,16,17)
InChIKeyQVMQXLNGOIFEGJ-UHFFFAOYSA-N
MW243.69 g/mol
LogP3.50
Rot. Bonds1

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

4-(3-chlorophenyl)-1,3-dihydroindol-2-one (PubChem CID 22561798) has the molecular formula C14H10ClNO and a molecular weight of 243.69 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1,3-dihydroindol-2-one
PubChem CID22561798
Molecular FormulaC14H10ClNO
Molecular Weight243.69 g/mol
Exact Mass243.05
IUPAC Name4-(3-chlorophenyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(cccc2-c2cccc(Cl)c2)N1
InChIInChI=1S/C14H10ClNO/c15-10-4-1-3-9(7-10)11-5-2-6-13-12(11)8-14(17)16-13/h1-7H,8H2,(H,16,17)
InChIKeyQVMQXLNGOIFEGJ-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1,3-dihydroindol-2-one?
The IUPAC name of 4-(3-chlorophenyl)-1,3-dihydroindol-2-one (CID 22561798) is 4-(3-chlorophenyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-(3-chlorophenyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 4-(3-chlorophenyl)-1,3-dihydroindol-2-one is O=C1Cc2c(cccc2-c2cccc(Cl)c2)N1.
What is the InChIKey of 4-(3-chlorophenyl)-1,3-dihydroindol-2-one?
The InChIKey is QVMQXLNGOIFEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO/c15-10-4-1-3-9(7-10)11-5-2-6-13-12(11)8-14(17)16-13/h1-7H,8H2,(H,16,17).
What are the key properties of 4-(3-chlorophenyl)-1,3-dihydroindol-2-one?
4-(3-chlorophenyl)-1,3-dihydroindol-2-one has a molecular weight of 243.69 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 22561798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).