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

C16H14ClFN2O — CID 83209696

IUPAC(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone
SMILESCc1cc2c(cc1N)N(C(=O)c1cc(Cl)ccc1F)CC2
InChIInChI=1S/C16H14ClFN2O/c1-9-6-10-4-5-20(15(10)8-14(9)19)16(21)12-7-11(17)2-3-13(12)18/h2-3,6-8H,4-5,19H2,1H3
InChIKeyRUXZNGCHWBNKHO-UHFFFAOYSA-N
MW304.75 g/mol
LogP3.57
Rot. Bonds1

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

(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone (PubChem CID 83209696) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone.

Molecular Properties

Compound Name(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone
PubChem CID83209696
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC Name(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone
SMILESCc1cc2c(cc1N)N(C(=O)c1cc(Cl)ccc1F)CC2
InChIInChI=1S/C16H14ClFN2O/c1-9-6-10-4-5-20(15(10)8-14(9)19)16(21)12-7-11(17)2-3-13(12)18/h2-3,6-8H,4-5,19H2,1H3
InChIKeyRUXZNGCHWBNKHO-UHFFFAOYSA-N
XLogP3.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 53.57
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)-(5-chloro-2-fluorophenyl)methanone?
The IUPAC name of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone (CID 83209696) is (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone.
What is the SMILES notation for (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone?
The canonical SMILES for (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone is Cc1cc2c(cc1N)N(C(=O)c1cc(Cl)ccc1F)CC2.
What is the InChIKey of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone?
The InChIKey is RUXZNGCHWBNKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c1-9-6-10-4-5-20(15(10)8-14(9)19)16(21)12-7-11(17)2-3-13(12)18/h2-3,6-8H,4-5,19H2,1H3.
What are the key properties of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone?
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone has a molecular weight of 304.75 g/mol, XLogP of 3.57, 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)-(5-chloro-2-fluorophenyl)methanone is sourced from PubChem (CID 83209696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).