(7-amino-2,3-dihydroindol-1-yl)-[4-(4-fluorophenoxy)phenyl]methanone

C21H17FN2O2 — CID 155969335

IUPAC(7-amino-2,3-dihydroindol-1-yl)-[4-(4-fluorophenoxy)phenyl]methanone
SMILESNc1cccc2c1N(C(=O)c1ccc(Oc3ccc(F)cc3)cc1)CC2
InChIInChI=1S/C21H17FN2O2/c22-16-6-10-18(11-7-16)26-17-8-4-15(5-9-17)21(25)24-13-12-14-2-1-3-19(23)20(14)24/h1-11H,12-13,23H2
InChIKeySQMWRLAWRUOLRW-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.40
Rot. Bonds3

About (7-amino-2,3-dihydroindol-1-yl)-[4-(4-fluorophenoxy)phenyl]methanone

(7-amino-2,3-dihydroindol-1-yl)-[4-(4-fluorophenoxy)phenyl]methanone (PubChem CID 155969335) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is (7-amino-2,3-dihydroindol-1-yl)-[4-(4-fluorophenoxy)phenyl]methanone.

Molecular Properties

Compound Name(7-amino-2,3-dihydroindol-1-yl)-[4-(4-fluorophenoxy)phenyl]methanone
PubChem CID155969335
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name(7-amino-2,3-dihydroindol-1-yl)-[4-(4-fluorophenoxy)phenyl]methanone
SMILESNc1cccc2c1N(C(=O)c1ccc(Oc3ccc(F)cc3)cc1)CC2
InChIInChI=1S/C21H17FN2O2/c22-16-6-10-18(11-7-16)26-17-8-4-15(5-9-17)21(25)24-13-12-14-2-1-3-19(23)20(14)24/h1-11H,12-13,23H2
InChIKeySQMWRLAWRUOLRW-UHFFFAOYSA-N
XLogP4.40
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(7-amino-2,3-dihydroindole-1-carbonyl)-6-hydroxy-1H-pyridin-2-one
CID 114455746
(7-amino-2,3-dihydroindol-1-yl)-(2,4,6-trifluorophenyl)methanone
CID 114455780
(7-amino-2,3-dihydroindol-1-yl)-(2-fluorophenyl)methanone
CID 114455598
(7-amino-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone
CID 114455702
(7-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-hydroxyphenyl)methanone
CID 114455583
(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)-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-bromothiophen-2-yl)methanone
CID 114455880
(7-amino-2,3-dihydroindol-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 114455888

Frequently Asked Questions

What is the IUPAC name of (7-amino-2,3-dihydroindol-1-yl)-[4-(4-fluorophenoxy)phenyl]methanone?
The IUPAC name of (7-amino-2,3-dihydroindol-1-yl)-[4-(4-fluorophenoxy)phenyl]methanone (CID 155969335) is (7-amino-2,3-dihydroindol-1-yl)-[4-(4-fluorophenoxy)phenyl]methanone.
What is the SMILES notation for (7-amino-2,3-dihydroindol-1-yl)-[4-(4-fluorophenoxy)phenyl]methanone?
The canonical SMILES for (7-amino-2,3-dihydroindol-1-yl)-[4-(4-fluorophenoxy)phenyl]methanone is Nc1cccc2c1N(C(=O)c1ccc(Oc3ccc(F)cc3)cc1)CC2.
What is the InChIKey of (7-amino-2,3-dihydroindol-1-yl)-[4-(4-fluorophenoxy)phenyl]methanone?
The InChIKey is SQMWRLAWRUOLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c22-16-6-10-18(11-7-16)26-17-8-4-15(5-9-17)21(25)24-13-12-14-2-1-3-19(23)20(14)24/h1-11H,12-13,23H2.
What are the key properties of (7-amino-2,3-dihydroindol-1-yl)-[4-(4-fluorophenoxy)phenyl]methanone?
(7-amino-2,3-dihydroindol-1-yl)-[4-(4-fluorophenoxy)phenyl]methanone has a molecular weight of 348.38 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-2,3-dihydroindol-1-yl)-[4-(4-fluorophenoxy)phenyl]methanone is sourced from PubChem (CID 155969335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).