6-chloro-5-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one

C16H14ClNO — CID 144760752

IUPAC6-chloro-5-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one
SMILESCc1ccc(-c2cc3c(cc2Cl)NC(=O)C3)cc1C
InChIInChI=1S/C16H14ClNO/c1-9-3-4-11(5-10(9)2)13-6-12-7-16(19)18-15(12)8-14(13)17/h3-6,8H,7H2,1-2H3,(H,18,19)
InChIKeyZKYRFDOKNAKHBM-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.12
Rot. Bonds1

About 6-chloro-5-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one

6-chloro-5-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one (PubChem CID 144760752) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is 6-chloro-5-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one
PubChem CID144760752
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name6-chloro-5-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one
SMILESCc1ccc(-c2cc3c(cc2Cl)NC(=O)C3)cc1C
InChIInChI=1S/C16H14ClNO/c1-9-3-4-11(5-10(9)2)13-6-12-7-16(19)18-15(12)8-14(13)17/h3-6,8H,7H2,1-2H3,(H,18,19)
InChIKeyZKYRFDOKNAKHBM-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one (CID 144760752) is 6-chloro-5-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one is Cc1ccc(-c2cc3c(cc2Cl)NC(=O)C3)cc1C.
What is the InChIKey of 6-chloro-5-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one?
The InChIKey is ZKYRFDOKNAKHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c1-9-3-4-11(5-10(9)2)13-6-12-7-16(19)18-15(12)8-14(13)17/h3-6,8H,7H2,1-2H3,(H,18,19).
What are the key properties of 6-chloro-5-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one?
6-chloro-5-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one has a molecular weight of 271.75 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 144760752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).