(7-amino-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone

C15H12ClFN2O — CID 114455689

IUPAC(7-amino-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone
SMILESNc1cccc2c1N(C(=O)c1cc(Cl)ccc1F)CC2
InChIInChI=1S/C15H12ClFN2O/c16-10-4-5-12(17)11(8-10)15(20)19-7-6-9-2-1-3-13(18)14(9)19/h1-5,8H,6-7,18H2
InChIKeyZIRJPNBMSKVXBX-UHFFFAOYSA-N
MW290.73 g/mol
LogP3.26
Rot. Bonds1

About (7-amino-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone

(7-amino-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone (PubChem CID 114455689) has the molecular formula C15H12ClFN2O and a molecular weight of 290.73 g/mol. Its IUPAC name is (7-amino-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone.

Molecular Properties

Compound Name(7-amino-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone
PubChem CID114455689
Molecular FormulaC15H12ClFN2O
Molecular Weight290.73 g/mol
Exact Mass290.06
IUPAC Name(7-amino-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone
SMILESNc1cccc2c1N(C(=O)c1cc(Cl)ccc1F)CC2
InChIInChI=1S/C15H12ClFN2O/c16-10-4-5-12(17)11(8-10)15(20)19-7-6-9-2-1-3-13(18)14(9)19/h1-5,8H,6-7,18H2
InChIKeyZIRJPNBMSKVXBX-UHFFFAOYSA-N
XLogP3.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 53.26
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)-(2-bromo-3-fluorophenyl)methanone
CID 114455629
(7-amino-2,3-dihydroindol-1-yl)-(2,4,6-trifluorophenyl)methanone
CID 114455780
(7-amino-2,3-dihydroindol-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone
CID 114455897
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 83209696
(2-amino-5-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16795435
(7-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-hydroxyphenyl)methanone
CID 114455583
7-amino-N-(3-chlorophenyl)-2,3-dihydroindole-1-carboxamide
CID 114455975
(7-amino-2,3-dihydroindol-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802051
(7-amino-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone
CID 114455702
(7-amino-2,3-dihydroindol-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 114455888
(2-amino-4-chlorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61112240

Frequently Asked Questions

What is the IUPAC name of (7-amino-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone?
The IUPAC name of (7-amino-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone (CID 114455689) is (7-amino-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone.
What is the SMILES notation for (7-amino-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone?
The canonical SMILES for (7-amino-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone is Nc1cccc2c1N(C(=O)c1cc(Cl)ccc1F)CC2.
What is the InChIKey of (7-amino-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone?
The InChIKey is ZIRJPNBMSKVXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O/c16-10-4-5-12(17)11(8-10)15(20)19-7-6-9-2-1-3-13(18)14(9)19/h1-5,8H,6-7,18H2.
What are the key properties of (7-amino-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone?
(7-amino-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone has a molecular weight of 290.73 g/mol, XLogP of 3.26, 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)-(5-chloro-2-fluorophenyl)methanone is sourced from PubChem (CID 114455689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).