(7-amino-2,3-dihydroindol-1-yl)-(2-fluorophenyl)methanone

C15H13FN2O — CID 114455598

IUPAC(7-amino-2,3-dihydroindol-1-yl)-(2-fluorophenyl)methanone
SMILESNc1cccc2c1N(C(=O)c1ccccc1F)CC2
InChIInChI=1S/C15H13FN2O/c16-12-6-2-1-5-11(12)15(19)18-9-8-10-4-3-7-13(17)14(10)18/h1-7H,8-9,17H2
InChIKeyQYFVDOQWWZVAHT-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.61
Rot. Bonds1

About (7-amino-2,3-dihydroindol-1-yl)-(2-fluorophenyl)methanone

(7-amino-2,3-dihydroindol-1-yl)-(2-fluorophenyl)methanone (PubChem CID 114455598) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is (7-amino-2,3-dihydroindol-1-yl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(7-amino-2,3-dihydroindol-1-yl)-(2-fluorophenyl)methanone
PubChem CID114455598
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name(7-amino-2,3-dihydroindol-1-yl)-(2-fluorophenyl)methanone
SMILESNc1cccc2c1N(C(=O)c1ccccc1F)CC2
InChIInChI=1S/C15H13FN2O/c16-12-6-2-1-5-11(12)15(19)18-9-8-10-4-3-7-13(17)14(10)18/h1-7H,8-9,17H2
InChIKeyQYFVDOQWWZVAHT-UHFFFAOYSA-N
XLogP2.61
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (7-amino-2,3-dihydroindol-1-yl)-(2-fluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7-amino-2,3-dihydroindol-1-yl)-(2-bromo-3-fluorophenyl)methanone
CID 114455629
(7-amino-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 114455689
(7-amino-2,3-dihydroindol-1-yl)-(2,4,6-trifluorophenyl)methanone
CID 114455780
(2-amino-3-fluorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 55099809
(7-amino-2,3-dihydroindol-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 114455888
(7-amino-2,3-dihydroindol-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802051
(7-amino-2,3-dihydroindol-1-yl)-[4-(4-fluorophenoxy)phenyl]methanone
CID 155969335
(7-amino-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone
CID 114455754
(7-amino-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone
CID 114455702
(7-amino-2,3-dihydroindol-1-yl)-pyrrolidin-1-ylmethanone
CID 114455948
(7-amino-2,3-dihydroindol-1-yl)-(3-bromothiophen-2-yl)methanone
CID 114455880
3,4-dihydro-1H-isoquinolin-2-yl-(2-fluorophenyl)methanone
CID 669198

Frequently Asked Questions

What is the IUPAC name of (7-amino-2,3-dihydroindol-1-yl)-(2-fluorophenyl)methanone?
The IUPAC name of (7-amino-2,3-dihydroindol-1-yl)-(2-fluorophenyl)methanone (CID 114455598) is (7-amino-2,3-dihydroindol-1-yl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (7-amino-2,3-dihydroindol-1-yl)-(2-fluorophenyl)methanone?
The canonical SMILES for (7-amino-2,3-dihydroindol-1-yl)-(2-fluorophenyl)methanone is Nc1cccc2c1N(C(=O)c1ccccc1F)CC2.
What is the InChIKey of (7-amino-2,3-dihydroindol-1-yl)-(2-fluorophenyl)methanone?
The InChIKey is QYFVDOQWWZVAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c16-12-6-2-1-5-11(12)15(19)18-9-8-10-4-3-7-13(17)14(10)18/h1-7H,8-9,17H2.
What are the key properties of (7-amino-2,3-dihydroindol-1-yl)-(2-fluorophenyl)methanone?
(7-amino-2,3-dihydroindol-1-yl)-(2-fluorophenyl)methanone has a molecular weight of 256.28 g/mol, XLogP of 2.61, 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-fluorophenyl)methanone is sourced from PubChem (CID 114455598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).