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

C17H18N2O — CID 82172454

IUPAC7-[amino(phenyl)methyl]-3,5-dimethyl-1,3-dihydroindol-2-one
SMILESCc1cc2c(c(C(N)c3ccccc3)c1)NC(=O)C2C
InChIInChI=1S/C17H18N2O/c1-10-8-13-11(2)17(20)19-16(13)14(9-10)15(18)12-6-4-3-5-7-12/h3-9,11,15H,18H2,1-2H3,(H,19,20)
InChIKeyVZMBROZPHMPVRT-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.10
Rot. Bonds2

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

7-[amino(phenyl)methyl]-3,5-dimethyl-1,3-dihydroindol-2-one (PubChem CID 82172454) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 7-[amino(phenyl)methyl]-3,5-dimethyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-[amino(phenyl)methyl]-3,5-dimethyl-1,3-dihydroindol-2-one
PubChem CID82172454
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name7-[amino(phenyl)methyl]-3,5-dimethyl-1,3-dihydroindol-2-one
SMILESCc1cc2c(c(C(N)c3ccccc3)c1)NC(=O)C2C
InChIInChI=1S/C17H18N2O/c1-10-8-13-11(2)17(20)19-16(13)14(9-10)15(18)12-6-4-3-5-7-12/h3-9,11,15H,18H2,1-2H3,(H,19,20)
InChIKeyVZMBROZPHMPVRT-UHFFFAOYSA-N
XLogP3.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[amino(phenyl)methyl]-3,5-dimethyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-[amino(phenyl)methyl]-3,5-dimethyl-1,3-dihydroindol-2-one (CID 82172454) is 7-[amino(phenyl)methyl]-3,5-dimethyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-[amino(phenyl)methyl]-3,5-dimethyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-[amino(phenyl)methyl]-3,5-dimethyl-1,3-dihydroindol-2-one is Cc1cc2c(c(C(N)c3ccccc3)c1)NC(=O)C2C.
What is the InChIKey of 7-[amino(phenyl)methyl]-3,5-dimethyl-1,3-dihydroindol-2-one?
The InChIKey is VZMBROZPHMPVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-10-8-13-11(2)17(20)19-16(13)14(9-10)15(18)12-6-4-3-5-7-12/h3-9,11,15H,18H2,1-2H3,(H,19,20).
What are the key properties of 7-[amino(phenyl)methyl]-3,5-dimethyl-1,3-dihydroindol-2-one?
7-[amino(phenyl)methyl]-3,5-dimethyl-1,3-dihydroindol-2-one has a molecular weight of 266.34 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[amino(phenyl)methyl]-3,5-dimethyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82172454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).