5-[1-amino-2-(4-fluorophenyl)ethyl]-6-chloro-1,3-dihydroindol-2-one

C16H14ClFN2O — CID 43457581

IUPAC5-[1-amino-2-(4-fluorophenyl)ethyl]-6-chloro-1,3-dihydroindol-2-one
SMILESNC(Cc1ccc(F)cc1)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C16H14ClFN2O/c17-13-8-15-10(7-16(21)20-15)6-12(13)14(19)5-9-1-3-11(18)4-2-9/h1-4,6,8,14H,5,7,19H2,(H,20,21)
InChIKeyGXPOQILVRHNJTG-UHFFFAOYSA-N
MW304.75 g/mol
LogP3.22
Rot. Bonds3

About 5-[1-amino-2-(4-fluorophenyl)ethyl]-6-chloro-1,3-dihydroindol-2-one

5-[1-amino-2-(4-fluorophenyl)ethyl]-6-chloro-1,3-dihydroindol-2-one (PubChem CID 43457581) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is 5-[1-amino-2-(4-fluorophenyl)ethyl]-6-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[1-amino-2-(4-fluorophenyl)ethyl]-6-chloro-1,3-dihydroindol-2-one
PubChem CID43457581
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC Name5-[1-amino-2-(4-fluorophenyl)ethyl]-6-chloro-1,3-dihydroindol-2-one
SMILESNC(Cc1ccc(F)cc1)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C16H14ClFN2O/c17-13-8-15-10(7-16(21)20-15)6-12(13)14(19)5-9-1-3-11(18)4-2-9/h1-4,6,8,14H,5,7,19H2,(H,20,21)
InChIKeyGXPOQILVRHNJTG-UHFFFAOYSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-5-[2-(4-chlorophenyl)-1-hydroxyethyl]-1,3-dihydroindol-2-one
CID 61080710
6-chloro-5-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-dihydroindol-2-one
CID 61084652
5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one
CID 82758304
1-(2-chloro-4,5-difluorophenyl)-2-(4-fluorophenyl)ethanamine
CID 107476079
5-[bromo-(2,4-difluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 61097394
5-[amino-(2-chloro-6-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457610
5-[amino-(4-chlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457597
5-[amino-(3,4-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457576
5-[amino-(4-methylsulfanylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 79212497
5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457574
6-chloro-5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydroindol-2-one
CID 61082063
5-[amino-(3-chloro-4-methylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 63194843

Frequently Asked Questions

What is the IUPAC name of 5-[1-amino-2-(4-fluorophenyl)ethyl]-6-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 5-[1-amino-2-(4-fluorophenyl)ethyl]-6-chloro-1,3-dihydroindol-2-one (CID 43457581) is 5-[1-amino-2-(4-fluorophenyl)ethyl]-6-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[1-amino-2-(4-fluorophenyl)ethyl]-6-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[1-amino-2-(4-fluorophenyl)ethyl]-6-chloro-1,3-dihydroindol-2-one is NC(Cc1ccc(F)cc1)c1cc2c(cc1Cl)NC(=O)C2.
What is the InChIKey of 5-[1-amino-2-(4-fluorophenyl)ethyl]-6-chloro-1,3-dihydroindol-2-one?
The InChIKey is GXPOQILVRHNJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c17-13-8-15-10(7-16(21)20-15)6-12(13)14(19)5-9-1-3-11(18)4-2-9/h1-4,6,8,14H,5,7,19H2,(H,20,21).
What are the key properties of 5-[1-amino-2-(4-fluorophenyl)ethyl]-6-chloro-1,3-dihydroindol-2-one?
5-[1-amino-2-(4-fluorophenyl)ethyl]-6-chloro-1,3-dihydroindol-2-one has a molecular weight of 304.75 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-amino-2-(4-fluorophenyl)ethyl]-6-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 43457581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).