(5-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-fluorophenyl)methanone

C15H12ClFN2O — CID 82875817

IUPAC(5-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-fluorophenyl)methanone
SMILESNc1ccc2c(c1)CCN2C(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H12ClFN2O/c16-12-8-10(1-3-13(12)17)15(20)19-6-5-9-7-11(18)2-4-14(9)19/h1-4,7-8H,5-6,18H2
InChIKeyFTEPHTKCCYNPAQ-UHFFFAOYSA-N
MW290.73 g/mol
LogP3.26
Rot. Bonds1

About (5-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-fluorophenyl)methanone

(5-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-fluorophenyl)methanone (PubChem CID 82875817) has the molecular formula C15H12ClFN2O and a molecular weight of 290.73 g/mol. Its IUPAC name is (5-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-fluorophenyl)methanone.

Molecular Properties

Compound Name(5-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-fluorophenyl)methanone
PubChem CID82875817
Molecular FormulaC15H12ClFN2O
Molecular Weight290.73 g/mol
Exact Mass290.06
IUPAC Name(5-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-fluorophenyl)methanone
SMILESNc1ccc2c(c1)CCN2C(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H12ClFN2O/c16-12-8-10(1-3-13(12)17)15(20)19-6-5-9-7-11(18)2-4-14(9)19/h1-4,7-8H,5-6,18H2
InChIKeyFTEPHTKCCYNPAQ-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

(5-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone
CID 43248167
(5-amino-2,3-dihydroindol-1-yl)-[1-(2,4-difluorophenyl)pyrazol-4-yl]methanone
CID 142623956
(5-amino-2,3-dihydroindol-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 62056525
(5-bromo-2,3-dihydroindol-1-yl)-(3,4-dichlorophenyl)methanone
CID 47444577
(3,4-difluorophenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone
CID 110316006
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 28707202
(4-chlorophenyl)-(5-methoxy-2,3-dihydroindol-1-yl)methanone
CID 110714075
(3,4-dichlorophenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 91813767
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chloro-4-hydroxyphenyl)methanone
CID 62266720
(4-bromo-3-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 80948923
(4-amino-3-fluorophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493821
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 43823652

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-fluorophenyl)methanone?
The IUPAC name of (5-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-fluorophenyl)methanone (CID 82875817) is (5-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-fluorophenyl)methanone.
What is the SMILES notation for (5-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-fluorophenyl)methanone?
The canonical SMILES for (5-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-fluorophenyl)methanone is Nc1ccc2c(c1)CCN2C(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of (5-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-fluorophenyl)methanone?
The InChIKey is FTEPHTKCCYNPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O/c16-12-8-10(1-3-13(12)17)15(20)19-6-5-9-7-11(18)2-4-14(9)19/h1-4,7-8H,5-6,18H2.
What are the key properties of (5-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-fluorophenyl)methanone?
(5-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-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 (5-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-fluorophenyl)methanone is sourced from PubChem (CID 82875817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).