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

C15H12Cl2N2O — CID 43457597

IUPAC5-[amino-(4-chlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
SMILESNC(c1ccc(Cl)cc1)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C15H12Cl2N2O/c16-10-3-1-8(2-4-10)15(18)11-5-9-6-14(20)19-13(9)7-12(11)17/h1-5,7,15H,6,18H2,(H,19,20)
InChIKeyFJNYAKJXDRRXCP-UHFFFAOYSA-N
MW307.18 g/mol
LogP3.54
Rot. Bonds2

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

5-[amino-(4-chlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one (PubChem CID 43457597) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is 5-[amino-(4-chlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[amino-(4-chlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
PubChem CID43457597
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC Name5-[amino-(4-chlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
SMILESNC(c1ccc(Cl)cc1)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C15H12Cl2N2O/c16-10-3-1-8(2-4-10)15(18)11-5-9-6-14(20)19-13(9)7-12(11)17/h1-5,7,15H,6,18H2,(H,19,20)
InChIKeyFJNYAKJXDRRXCP-UHFFFAOYSA-N
XLogP3.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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-(3-chloro-4-methylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 63194843
5-[amino-(2-chloro-6-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457610
5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one
CID 82758304
6-[amino-(4-chlorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457663
6-chloro-5-[2-(4-chlorophenyl)-1-hydroxyethyl]-1,3-dihydroindol-2-one
CID 61080710
6-chloro-5-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 63210472
6-chloro-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one
CID 61081464
5-[amino-(3,5-dichlorophenyl)methyl]-1,3-dihydroindol-2-one
CID 43096298
5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457574
5-[1-amino-2-(4-fluorophenyl)ethyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457581

Frequently Asked Questions

What is the IUPAC name of 5-[amino-(4-chlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 5-[amino-(4-chlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one (CID 43457597) is 5-[amino-(4-chlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[amino-(4-chlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[amino-(4-chlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one is NC(c1ccc(Cl)cc1)c1cc2c(cc1Cl)NC(=O)C2.
What is the InChIKey of 5-[amino-(4-chlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
The InChIKey is FJNYAKJXDRRXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O/c16-10-3-1-8(2-4-10)15(18)11-5-9-6-14(20)19-13(9)7-12(11)17/h1-5,7,15H,6,18H2,(H,19,20).
What are the key properties of 5-[amino-(4-chlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
5-[amino-(4-chlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one has a molecular weight of 307.18 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-(4-chlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 43457597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).