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

C15H13FN2O — CID 55099809

IUPAC(2-amino-3-fluorophenyl)-(2,3-dihydroindol-1-yl)methanone
SMILESNc1c(F)cccc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C15H13FN2O/c16-12-6-3-5-11(14(12)17)15(19)18-9-8-10-4-1-2-7-13(10)18/h1-7H,8-9,17H2
InChIKeyBBQAELFGZISLBC-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.61
Rot. Bonds1

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

(2-amino-3-fluorophenyl)-(2,3-dihydroindol-1-yl)methanone (PubChem CID 55099809) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is (2-amino-3-fluorophenyl)-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-fluorophenyl)-(2,3-dihydroindol-1-yl)methanone
PubChem CID55099809
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name(2-amino-3-fluorophenyl)-(2,3-dihydroindol-1-yl)methanone
SMILESNc1c(F)cccc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C15H13FN2O/c16-12-6-3-5-11(14(12)17)15(19)18-9-8-10-4-1-2-7-13(10)18/h1-7H,8-9,17H2
InChIKeyBBQAELFGZISLBC-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'}

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Related Compounds

(2-amino-3-fluorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63499391
(7-amino-2,3-dihydroindol-1-yl)-(2-fluorophenyl)methanone
CID 114455598
(2-amino-5-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16795435
2,3-dihydroindol-1-yl-(2-pyrrolidin-1-ylphenyl)methanone
CID 168513032
(2-aminothiophen-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 117213470
2,3-dihydroindol-1-yl-[2-(methylideneamino)phenyl]methanone
CID 122502753
(3,5-difluorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 4815727
(3-aminothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone
CID 61090033
(7-amino-2,3-dihydroindol-1-yl)-(2-bromo-3-fluorophenyl)methanone
CID 114455629
N-(2-fluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 6468631
4-(2,3-dihydroindole-1-carbonyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 109047185
N-(2,6-difluorophenyl)-6-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109100342

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-fluorophenyl)-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (2-amino-3-fluorophenyl)-(2,3-dihydroindol-1-yl)methanone (CID 55099809) is (2-amino-3-fluorophenyl)-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (2-amino-3-fluorophenyl)-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (2-amino-3-fluorophenyl)-(2,3-dihydroindol-1-yl)methanone is Nc1c(F)cccc1C(=O)N1CCc2ccccc21.
What is the InChIKey of (2-amino-3-fluorophenyl)-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is BBQAELFGZISLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c16-12-6-3-5-11(14(12)17)15(19)18-9-8-10-4-1-2-7-13(10)18/h1-7H,8-9,17H2.
What are the key properties of (2-amino-3-fluorophenyl)-(2,3-dihydroindol-1-yl)methanone?
(2-amino-3-fluorophenyl)-(2,3-dihydroindol-1-yl)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 (2-amino-3-fluorophenyl)-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 55099809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).