(4-amino-3-fluorophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone

C15H12F2N2O — CID 103493821

IUPAC(4-amino-3-fluorophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESNc1ccc(C(=O)N2CCc3ccc(F)cc32)cc1F
InChIInChI=1S/C15H12F2N2O/c16-11-3-1-9-5-6-19(14(9)8-11)15(20)10-2-4-13(18)12(17)7-10/h1-4,7-8H,5-6,18H2
InChIKeyBLWMLANBHBHRJK-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.75
Rot. Bonds1

About (4-amino-3-fluorophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone

(4-amino-3-fluorophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone (PubChem CID 103493821) has the molecular formula C15H12F2N2O and a molecular weight of 274.27 g/mol. Its IUPAC name is (4-amino-3-fluorophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-fluorophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
PubChem CID103493821
Molecular FormulaC15H12F2N2O
Molecular Weight274.27 g/mol
Exact Mass274.09
IUPAC Name(4-amino-3-fluorophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESNc1ccc(C(=O)N2CCc3ccc(F)cc32)cc1F
InChIInChI=1S/C15H12F2N2O/c16-11-3-1-9-5-6-19(14(9)8-11)15(20)10-2-4-13(18)12(17)7-10/h1-4,7-8H,5-6,18H2
InChIKeyBLWMLANBHBHRJK-UHFFFAOYSA-N
XLogP2.75
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.75
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

(3-amino-5-fluoro-4-methylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493768
[4-(2-aminoethyl)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103495293
2,3-dihydro-1H-indol-6-yl-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103495318
(2,4-diaminophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493819
(6-bromo-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103718991
(4-amino-1H-pyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493823
(3-amino-4-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103502191
(6-fluoro-2,3-dihydroindol-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone
CID 111520398
[4-(ethylamino)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103502194
(4-amino-2-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103502157
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103496505

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-fluorophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (4-amino-3-fluorophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone (CID 103493821) is (4-amino-3-fluorophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (4-amino-3-fluorophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (4-amino-3-fluorophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone is Nc1ccc(C(=O)N2CCc3ccc(F)cc32)cc1F.
What is the InChIKey of (4-amino-3-fluorophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The InChIKey is BLWMLANBHBHRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O/c16-11-3-1-9-5-6-19(14(9)8-11)15(20)10-2-4-13(18)12(17)7-10/h1-4,7-8H,5-6,18H2.
What are the key properties of (4-amino-3-fluorophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
(4-amino-3-fluorophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone has a molecular weight of 274.27 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-fluorophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 103493821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).