(7-amino-2,3-dihydroindol-1-yl)-(2,4,6-trifluorophenyl)methanone

C15H11F3N2O — CID 114455780

IUPAC(7-amino-2,3-dihydroindol-1-yl)-(2,4,6-trifluorophenyl)methanone
SMILESNc1cccc2c1N(C(=O)c1c(F)cc(F)cc1F)CC2
InChIInChI=1S/C15H11F3N2O/c16-9-6-10(17)13(11(18)7-9)15(21)20-5-4-8-2-1-3-12(19)14(8)20/h1-3,6-7H,4-5,19H2
InChIKeyFRSNLOFFURJNCU-UHFFFAOYSA-N
MW292.26 g/mol
LogP2.89
Rot. Bonds1

About (7-amino-2,3-dihydroindol-1-yl)-(2,4,6-trifluorophenyl)methanone

(7-amino-2,3-dihydroindol-1-yl)-(2,4,6-trifluorophenyl)methanone (PubChem CID 114455780) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is (7-amino-2,3-dihydroindol-1-yl)-(2,4,6-trifluorophenyl)methanone.

Molecular Properties

Compound Name(7-amino-2,3-dihydroindol-1-yl)-(2,4,6-trifluorophenyl)methanone
PubChem CID114455780
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC Name(7-amino-2,3-dihydroindol-1-yl)-(2,4,6-trifluorophenyl)methanone
SMILESNc1cccc2c1N(C(=O)c1c(F)cc(F)cc1F)CC2
InChIInChI=1S/C15H11F3N2O/c16-9-6-10(17)13(11(18)7-9)15(21)20-5-4-8-2-1-3-12(19)14(8)20/h1-3,6-7H,4-5,19H2
InChIKeyFRSNLOFFURJNCU-UHFFFAOYSA-N
XLogP2.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(7-amino-2,3-dihydroindol-1-yl)-(2-fluorophenyl)methanone
CID 114455598
(7-amino-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 114455689
(7-amino-2,3-dihydroindol-1-yl)-(2-bromo-3-fluorophenyl)methanone
CID 114455629
(7-amino-2,3-dihydroindol-1-yl)-[4-(4-fluorophenoxy)phenyl]methanone
CID 155969335
(7-amino-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone
CID 114455702
(7-amino-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone
CID 114455754
(7-amino-2,3-dihydroindol-1-yl)-pyrrolidin-1-ylmethanone
CID 114455948
(7-amino-2,3-dihydroindol-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone
CID 114455897
(7-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-hydroxyphenyl)methanone
CID 114455583
4-(7-amino-2,3-dihydroindole-1-carbonyl)-6-hydroxy-1H-pyridin-2-one
CID 114455746
(7-amino-2,3-dihydroindol-1-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
CID 114455584
(7-amino-2,3-dihydroindol-1-yl)-(3-bromothiophen-2-yl)methanone
CID 114455880

Frequently Asked Questions

What is the IUPAC name of (7-amino-2,3-dihydroindol-1-yl)-(2,4,6-trifluorophenyl)methanone?
The IUPAC name of (7-amino-2,3-dihydroindol-1-yl)-(2,4,6-trifluorophenyl)methanone (CID 114455780) is (7-amino-2,3-dihydroindol-1-yl)-(2,4,6-trifluorophenyl)methanone.
What is the SMILES notation for (7-amino-2,3-dihydroindol-1-yl)-(2,4,6-trifluorophenyl)methanone?
The canonical SMILES for (7-amino-2,3-dihydroindol-1-yl)-(2,4,6-trifluorophenyl)methanone is Nc1cccc2c1N(C(=O)c1c(F)cc(F)cc1F)CC2.
What is the InChIKey of (7-amino-2,3-dihydroindol-1-yl)-(2,4,6-trifluorophenyl)methanone?
The InChIKey is FRSNLOFFURJNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O/c16-9-6-10(17)13(11(18)7-9)15(21)20-5-4-8-2-1-3-12(19)14(8)20/h1-3,6-7H,4-5,19H2.
What are the key properties of (7-amino-2,3-dihydroindol-1-yl)-(2,4,6-trifluorophenyl)methanone?
(7-amino-2,3-dihydroindol-1-yl)-(2,4,6-trifluorophenyl)methanone has a molecular weight of 292.26 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-2,3-dihydroindol-1-yl)-(2,4,6-trifluorophenyl)methanone is sourced from PubChem (CID 114455780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).