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

C15H11Cl2FN2O — CID 43457610

IUPAC5-[amino-(2-chloro-6-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
SMILESNC(c1cc2c(cc1Cl)NC(=O)C2)c1c(F)cccc1Cl
InChIInChI=1S/C15H11Cl2FN2O/c16-9-2-1-3-11(18)14(9)15(19)8-4-7-5-13(21)20-12(7)6-10(8)17/h1-4,6,15H,5,19H2,(H,20,21)
InChIKeyJIRIKJBCBVPXOS-UHFFFAOYSA-N
MW325.17 g/mol
LogP3.68
Rot. Bonds2

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

5-[amino-(2-chloro-6-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one (PubChem CID 43457610) has the molecular formula C15H11Cl2FN2O and a molecular weight of 325.17 g/mol. Its IUPAC name is 5-[amino-(2-chloro-6-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[amino-(2-chloro-6-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
PubChem CID43457610
Molecular FormulaC15H11Cl2FN2O
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC Name5-[amino-(2-chloro-6-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
SMILESNC(c1cc2c(cc1Cl)NC(=O)C2)c1c(F)cccc1Cl
InChIInChI=1S/C15H11Cl2FN2O/c16-9-2-1-3-11(18)14(9)15(19)8-4-7-5-13(21)20-12(7)6-10(8)17/h1-4,6,15H,5,19H2,(H,20,21)
InChIKeyJIRIKJBCBVPXOS-UHFFFAOYSA-N
XLogP3.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[amino-(4-chlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457597
6-chloro-5-[chloro-(2,3-difluorophenyl)methyl]-1,3-dihydroindol-2-one
CID 62660055
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-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one
CID 82758304
6-chloro-5-[chloro-(2,3-dichlorophenyl)methyl]-1,3-dihydroindol-2-one
CID 63434625
5-[amino-(3-chloro-4-methylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 63194843
5-[1-amino-2-(4-fluorophenyl)ethyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457581
5-[bromo-(2,3-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 63443106
6-chloro-5-(2-chloro-6-fluorobenzoyl)-1,3-dihydroindol-2-one
CID 43457450
6-chloro-5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 81480901
5-[bromo-(2,4-difluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 61097394

Frequently Asked Questions

What is the IUPAC name of 5-[amino-(2-chloro-6-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 5-[amino-(2-chloro-6-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one (CID 43457610) is 5-[amino-(2-chloro-6-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[amino-(2-chloro-6-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[amino-(2-chloro-6-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one is NC(c1cc2c(cc1Cl)NC(=O)C2)c1c(F)cccc1Cl.
What is the InChIKey of 5-[amino-(2-chloro-6-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
The InChIKey is JIRIKJBCBVPXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FN2O/c16-9-2-1-3-11(18)14(9)15(19)8-4-7-5-13(21)20-12(7)6-10(8)17/h1-4,6,15H,5,19H2,(H,20,21).
What are the key properties of 5-[amino-(2-chloro-6-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
5-[amino-(2-chloro-6-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one has a molecular weight of 325.17 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-(2-chloro-6-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 43457610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).