3-[1-(2-bromophenyl)ethylamino]-5-chloro-1,3-dihydroindol-2-one

C16H14BrClN2O — CID 43680023

IUPAC3-[1-(2-bromophenyl)ethylamino]-5-chloro-1,3-dihydroindol-2-one
SMILESCC(NC1C(=O)Nc2ccc(Cl)cc21)c1ccccc1Br
InChIInChI=1S/C16H14BrClN2O/c1-9(11-4-2-3-5-13(11)17)19-15-12-8-10(18)6-7-14(12)20-16(15)21/h2-9,15,19H,1H3,(H,20,21)
InChIKeyCROBLAMZYGXCML-UHFFFAOYSA-N
MW365.66 g/mol
LogP4.45
Rot. Bonds3

About 3-[1-(2-bromophenyl)ethylamino]-5-chloro-1,3-dihydroindol-2-one

3-[1-(2-bromophenyl)ethylamino]-5-chloro-1,3-dihydroindol-2-one (PubChem CID 43680023) has the molecular formula C16H14BrClN2O and a molecular weight of 365.66 g/mol. Its IUPAC name is 3-[1-(2-bromophenyl)ethylamino]-5-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[1-(2-bromophenyl)ethylamino]-5-chloro-1,3-dihydroindol-2-one
PubChem CID43680023
Molecular FormulaC16H14BrClN2O
Molecular Weight365.66 g/mol
Exact Mass364.00
IUPAC Name3-[1-(2-bromophenyl)ethylamino]-5-chloro-1,3-dihydroindol-2-one
SMILESCC(NC1C(=O)Nc2ccc(Cl)cc21)c1ccccc1Br
InChIInChI=1S/C16H14BrClN2O/c1-9(11-4-2-3-5-13(11)17)19-15-12-8-10(18)6-7-14(12)20-16(15)21/h2-9,15,19H,1H3,(H,20,21)
InChIKeyCROBLAMZYGXCML-UHFFFAOYSA-N
XLogP4.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.66
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-[1-(2-chlorophenyl)ethylamino]-1,3-dihydroindol-2-one
CID 43094852
5-chloro-3-(1-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one
CID 43206055
3-[1-(2-chlorophenyl)ethylamino]-5-methyl-1,3-dihydroindol-2-one
CID 43108405
5-chloro-3-[1-(5-methylfuran-2-yl)ethylamino]-1,3-dihydroindol-2-one
CID 43684964
5-chloro-3-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one
CID 43098124
5-bromo-3-[1-(3-bromophenyl)ethylamino]-1,3-dihydroindol-2-one
CID 43673277
3-(4-bromo-2,6-dichloroanilino)-5-chloro-1,3-dihydroindol-2-one
CID 43126586
5-bromo-3-[1-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one
CID 43201955
3-(5-bromo-2-fluoroanilino)-5-chloro-1,3-dihydroindol-2-one
CID 43555314
5-chloro-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one
CID 43097456
3-(4-bromo-2-chloroanilino)-5-chloro-1,3-dihydroindol-2-one
CID 43347233
5-bromo-3-(butan-2-ylamino)-1,3-dihydroindol-2-one
CID 43190207

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-bromophenyl)ethylamino]-5-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 3-[1-(2-bromophenyl)ethylamino]-5-chloro-1,3-dihydroindol-2-one (CID 43680023) is 3-[1-(2-bromophenyl)ethylamino]-5-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[1-(2-bromophenyl)ethylamino]-5-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[1-(2-bromophenyl)ethylamino]-5-chloro-1,3-dihydroindol-2-one is CC(NC1C(=O)Nc2ccc(Cl)cc21)c1ccccc1Br.
What is the InChIKey of 3-[1-(2-bromophenyl)ethylamino]-5-chloro-1,3-dihydroindol-2-one?
The InChIKey is CROBLAMZYGXCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O/c1-9(11-4-2-3-5-13(11)17)19-15-12-8-10(18)6-7-14(12)20-16(15)21/h2-9,15,19H,1H3,(H,20,21).
What are the key properties of 3-[1-(2-bromophenyl)ethylamino]-5-chloro-1,3-dihydroindol-2-one?
3-[1-(2-bromophenyl)ethylamino]-5-chloro-1,3-dihydroindol-2-one has a molecular weight of 365.66 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-bromophenyl)ethylamino]-5-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 43680023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).