3-[(3-chlorophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one

C16H14ClNO — CID 43912430

IUPAC3-[(3-chlorophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cccc2c1NC(=O)C2Cc1cccc(Cl)c1
InChIInChI=1S/C16H14ClNO/c1-10-4-2-7-13-14(16(19)18-15(10)13)9-11-5-3-6-12(17)8-11/h2-8,14H,9H2,1H3,(H,18,19)
InChIKeyWANBIZNINMKCOF-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.93
Rot. Bonds2

About 3-[(3-chlorophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one

3-[(3-chlorophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one (PubChem CID 43912430) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
PubChem CID43912430
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name3-[(3-chlorophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cccc2c1NC(=O)C2Cc1cccc(Cl)c1
InChIInChI=1S/C16H14ClNO/c1-10-4-2-7-13-14(16(19)18-15(10)13)9-11-5-3-6-12(17)8-11/h2-8,14H,9H2,1H3,(H,18,19)
InChIKeyWANBIZNINMKCOF-UHFFFAOYSA-N
XLogP3.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one (CID 43912430) is 3-[(3-chlorophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one is Cc1cccc2c1NC(=O)C2Cc1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one?
The InChIKey is WANBIZNINMKCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c1-10-4-2-7-13-14(16(19)18-15(10)13)9-11-5-3-6-12(17)8-11/h2-8,14H,9H2,1H3,(H,18,19).
What are the key properties of 3-[(3-chlorophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one?
3-[(3-chlorophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one has a molecular weight of 271.75 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 43912430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).