(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,6-difluorophenyl)methanone

C16H14F2N2O — CID 83210072

IUPAC(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,6-difluorophenyl)methanone
SMILESCc1cc2c(cc1N)N(C(=O)c1c(F)cccc1F)CC2
InChIInChI=1S/C16H14F2N2O/c1-9-7-10-5-6-20(14(10)8-13(9)19)16(21)15-11(17)3-2-4-12(15)18/h2-4,7-8H,5-6,19H2,1H3
InChIKeyYSZSLMIGVBOIQP-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.06
Rot. Bonds1

About (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,6-difluorophenyl)methanone

(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,6-difluorophenyl)methanone (PubChem CID 83210072) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,6-difluorophenyl)methanone
PubChem CID83210072
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,6-difluorophenyl)methanone
SMILESCc1cc2c(cc1N)N(C(=O)c1c(F)cccc1F)CC2
InChIInChI=1S/C16H14F2N2O/c1-9-7-10-5-6-20(14(10)8-13(9)19)16(21)15-11(17)3-2-4-12(15)18/h2-4,7-8H,5-6,19H2,1H3
InChIKeyYSZSLMIGVBOIQP-UHFFFAOYSA-N
XLogP3.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,6-difluorophenyl)methanone?
The IUPAC name of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,6-difluorophenyl)methanone (CID 83210072) is (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,6-difluorophenyl)methanone.
What is the SMILES notation for (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,6-difluorophenyl)methanone?
The canonical SMILES for (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,6-difluorophenyl)methanone is Cc1cc2c(cc1N)N(C(=O)c1c(F)cccc1F)CC2.
What is the InChIKey of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,6-difluorophenyl)methanone?
The InChIKey is YSZSLMIGVBOIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c1-9-7-10-5-6-20(14(10)8-13(9)19)16(21)15-11(17)3-2-4-12(15)18/h2-4,7-8H,5-6,19H2,1H3.
What are the key properties of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,6-difluorophenyl)methanone?
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,6-difluorophenyl)methanone has a molecular weight of 288.30 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 83210072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).