5-[amino-(4-methylphenyl)methyl]-7-chloro-3-methyl-1,3-dihydroindol-2-one

C17H17ClN2O — CID 82173718

IUPAC5-[amino-(4-methylphenyl)methyl]-7-chloro-3-methyl-1,3-dihydroindol-2-one
SMILESCc1ccc(C(N)c2cc(Cl)c3c(c2)C(C)C(=O)N3)cc1
InChIInChI=1S/C17H17ClN2O/c1-9-3-5-11(6-4-9)15(19)12-7-13-10(2)17(21)20-16(13)14(18)8-12/h3-8,10,15H,19H2,1-2H3,(H,20,21)
InChIKeyYQLJJTWMLXGCDV-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.75
Rot. Bonds2

About 5-[amino-(4-methylphenyl)methyl]-7-chloro-3-methyl-1,3-dihydroindol-2-one

5-[amino-(4-methylphenyl)methyl]-7-chloro-3-methyl-1,3-dihydroindol-2-one (PubChem CID 82173718) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 5-[amino-(4-methylphenyl)methyl]-7-chloro-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[amino-(4-methylphenyl)methyl]-7-chloro-3-methyl-1,3-dihydroindol-2-one
PubChem CID82173718
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name5-[amino-(4-methylphenyl)methyl]-7-chloro-3-methyl-1,3-dihydroindol-2-one
SMILESCc1ccc(C(N)c2cc(Cl)c3c(c2)C(C)C(=O)N3)cc1
InChIInChI=1S/C17H17ClN2O/c1-9-3-5-11(6-4-9)15(19)12-7-13-10(2)17(21)20-16(13)14(18)8-12/h3-8,10,15H,19H2,1-2H3,(H,20,21)
InChIKeyYQLJJTWMLXGCDV-UHFFFAOYSA-N
XLogP3.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[amino(phenyl)methyl]-3,7-dimethyl-1,3-dihydroindol-2-one
CID 82172771
5-(1-aminobutyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one
CID 82173710
5-(1-amino-2-methoxyethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one
CID 82173711
7-[amino(phenyl)methyl]-3,5-dimethyl-1,3-dihydroindol-2-one
CID 82172454
7-fluoro-5-[hydroxy-(4-methylphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one
CID 82173579
5-(1-amino-2-methylpropyl)-3,7-dimethyl-1,3-dihydroindol-2-one
CID 82172765
5-(2-aminoethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one
CID 82190576
7-chloro-3-methyl-2-oxo-1,3-dihydroindole-5-carboxylic acid
CID 82104773
7-(1-aminoethyl)-3,5-dimethyl-1,3-dihydroindol-2-one
CID 82172446
7-[amino(phenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one
CID 82173235
7-[amino-(4-methoxyphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one
CID 82173241
7-[amino-(3-methylphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one
CID 82173237

Frequently Asked Questions

What is the IUPAC name of 5-[amino-(4-methylphenyl)methyl]-7-chloro-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[amino-(4-methylphenyl)methyl]-7-chloro-3-methyl-1,3-dihydroindol-2-one (CID 82173718) is 5-[amino-(4-methylphenyl)methyl]-7-chloro-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[amino-(4-methylphenyl)methyl]-7-chloro-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[amino-(4-methylphenyl)methyl]-7-chloro-3-methyl-1,3-dihydroindol-2-one is Cc1ccc(C(N)c2cc(Cl)c3c(c2)C(C)C(=O)N3)cc1.
What is the InChIKey of 5-[amino-(4-methylphenyl)methyl]-7-chloro-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is YQLJJTWMLXGCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-9-3-5-11(6-4-9)15(19)12-7-13-10(2)17(21)20-16(13)14(18)8-12/h3-8,10,15H,19H2,1-2H3,(H,20,21).
What are the key properties of 5-[amino-(4-methylphenyl)methyl]-7-chloro-3-methyl-1,3-dihydroindol-2-one?
5-[amino-(4-methylphenyl)methyl]-7-chloro-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 300.79 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-(4-methylphenyl)methyl]-7-chloro-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).