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

C17H17ClN2O — CID 82173429

IUPAC7-[amino(phenyl)methyl]-5-chloro-3-ethyl-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c1cc(Cl)cc2C(N)c1ccccc1
InChIInChI=1S/C17H17ClN2O/c1-2-12-13-8-11(18)9-14(16(13)20-17(12)21)15(19)10-6-4-3-5-7-10/h3-9,12,15H,2,19H2,1H3,(H,20,21)
InChIKeyONAJXBSBZFNDKM-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.83
Rot. Bonds3

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

7-[amino(phenyl)methyl]-5-chloro-3-ethyl-1,3-dihydroindol-2-one (PubChem CID 82173429) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 7-[amino(phenyl)methyl]-5-chloro-3-ethyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-[amino(phenyl)methyl]-5-chloro-3-ethyl-1,3-dihydroindol-2-one
PubChem CID82173429
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name7-[amino(phenyl)methyl]-5-chloro-3-ethyl-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c1cc(Cl)cc2C(N)c1ccccc1
InChIInChI=1S/C17H17ClN2O/c1-2-12-13-8-11(18)9-14(16(13)20-17(12)21)15(19)10-6-4-3-5-7-10/h3-9,12,15H,2,19H2,1H3,(H,20,21)
InChIKeyONAJXBSBZFNDKM-UHFFFAOYSA-N
XLogP3.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-[amino(phenyl)methyl]-3-ethyl-5-fluoro-1,3-dihydroindol-2-one
CID 82173281
5-[amino(phenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one
CID 82173601
7-[amino-(4-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one
CID 82172666
7-[amino-(3-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one
CID 82172665
5-chloro-3-ethyl-7-(1-hydroxy-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 82173438
7-[amino-(2-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one
CID 82172664
5-[amino-(2-methylphenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one
CID 82173602
5-[amino-(3-methylphenyl)methyl]-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82173129
7-(aminomethyl)-5-chloro-3-ethyl-1,3-dihydroindol-2-one
CID 82190658
7-[amino(phenyl)methyl]-3,5-dimethyl-1,3-dihydroindol-2-one
CID 82172454
7-[amino(phenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one
CID 82173235
7-chloro-3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one
CID 82173752

Frequently Asked Questions

What is the IUPAC name of 7-[amino(phenyl)methyl]-5-chloro-3-ethyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-[amino(phenyl)methyl]-5-chloro-3-ethyl-1,3-dihydroindol-2-one (CID 82173429) is 7-[amino(phenyl)methyl]-5-chloro-3-ethyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-[amino(phenyl)methyl]-5-chloro-3-ethyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-[amino(phenyl)methyl]-5-chloro-3-ethyl-1,3-dihydroindol-2-one is CCC1C(=O)Nc2c1cc(Cl)cc2C(N)c1ccccc1.
What is the InChIKey of 7-[amino(phenyl)methyl]-5-chloro-3-ethyl-1,3-dihydroindol-2-one?
The InChIKey is ONAJXBSBZFNDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-2-12-13-8-11(18)9-14(16(13)20-17(12)21)15(19)10-6-4-3-5-7-10/h3-9,12,15H,2,19H2,1H3,(H,20,21).
What are the key properties of 7-[amino(phenyl)methyl]-5-chloro-3-ethyl-1,3-dihydroindol-2-one?
7-[amino(phenyl)methyl]-5-chloro-3-ethyl-1,3-dihydroindol-2-one has a molecular weight of 300.79 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[amino(phenyl)methyl]-5-chloro-3-ethyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).