6-chloro-3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one

C16H14ClNO — CID 154718795

IUPAC6-chloro-3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one
SMILESCc1ccc(CC2C(=O)Nc3cc(Cl)ccc32)cc1
InChIInChI=1S/C16H14ClNO/c1-10-2-4-11(5-3-10)8-14-13-7-6-12(17)9-15(13)18-16(14)19/h2-7,9,14H,8H2,1H3,(H,18,19)
InChIKeySHOWYLJCQOFBHG-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.93
Rot. Bonds2

About 6-chloro-3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one

6-chloro-3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one (PubChem CID 154718795) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is 6-chloro-3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one
PubChem CID154718795
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name6-chloro-3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one
SMILESCc1ccc(CC2C(=O)Nc3cc(Cl)ccc32)cc1
InChIInChI=1S/C16H14ClNO/c1-10-2-4-11(5-3-10)8-14-13-7-6-12(17)9-15(13)18-16(14)19/h2-7,9,14H,8H2,1H3,(H,18,19)
InChIKeySHOWYLJCQOFBHG-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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Related Compounds

3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 43912552
(3S)-6-chloro-3-[(3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 51971626
3-(2-aminoethyl)-6-chloro-1,3-dihydroindol-2-one
CID 63555127
ethyl 2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)acetate
CID 132542519
(3R)-3-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,3-dihydroindol-2-one
CID 26367502
(3R)-3-[(4-ethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 51539527
3-[(3-chlorophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 43912430
(3R)-5-chloro-3-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 51539730
(3S)-5-chloro-3-[(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 26367348
6-chloro-3-(3,3-dimethyl-5-nitropentyl)-1,3-dihydroindol-2-one
CID 123188323
3-[2-aminoethyl(methyl)amino]-6-chloro-1,3-dihydroindol-2-one
CID 82237705
6-chloro-3-(2-methylpropylamino)-1,3-dihydroindol-2-one
CID 82236806

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one (CID 154718795) is 6-chloro-3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one is Cc1ccc(CC2C(=O)Nc3cc(Cl)ccc32)cc1.
What is the InChIKey of 6-chloro-3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is SHOWYLJCQOFBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c1-10-2-4-11(5-3-10)8-14-13-7-6-12(17)9-15(13)18-16(14)19/h2-7,9,14H,8H2,1H3,(H,18,19).
What are the key properties of 6-chloro-3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one?
6-chloro-3-[(4-methylphenyl)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 6-chloro-3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 154718795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).