5-[(5-bromo-2-fluorophenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one

C15H11BrClFN2O — CID 43691679

IUPAC5-[(5-bromo-2-fluorophenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(NCc3cc(Br)ccc3F)c(Cl)cc2N1
InChIInChI=1S/C15H11BrClFN2O/c16-10-1-2-12(18)9(3-10)7-19-14-4-8-5-15(21)20-13(8)6-11(14)17/h1-4,6,19H,5,7H2,(H,20,21)
InChIKeyLWMFJMPMTCCZGY-UHFFFAOYSA-N
MW369.62 g/mol
LogP4.35
Rot. Bonds3

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

5-[(5-bromo-2-fluorophenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one (PubChem CID 43691679) has the molecular formula C15H11BrClFN2O and a molecular weight of 369.62 g/mol. Its IUPAC name is 5-[(5-bromo-2-fluorophenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[(5-bromo-2-fluorophenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one
PubChem CID43691679
Molecular FormulaC15H11BrClFN2O
Molecular Weight369.62 g/mol
Exact Mass367.97
IUPAC Name5-[(5-bromo-2-fluorophenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(NCc3cc(Br)ccc3F)c(Cl)cc2N1
InChIInChI=1S/C15H11BrClFN2O/c16-10-1-2-12(18)9(3-10)7-19-14-4-8-5-15(21)20-13(8)6-11(14)17/h1-4,6,19H,5,7H2,(H,20,21)
InChIKeyLWMFJMPMTCCZGY-UHFFFAOYSA-N
XLogP4.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.62
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-bromophenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one
CID 43691682
6-chloro-5-[(4-chlorophenyl)methylamino]-1,3-dihydroindol-2-one
CID 43691683
5-[(3-bromo-2-hydroxyphenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one
CID 61390866
6-chloro-5-[(3-chloro-5-fluorophenyl)methylamino]-1,3-dihydroindol-2-one
CID 114452412
6-chloro-5-(propylamino)-1,3-dihydroindol-2-one
CID 43691797
6-chloro-5-(pyrimidin-4-ylmethylamino)-1,3-dihydroindol-2-one
CID 62758930
6-chloro-5-[(1-methylpiperidin-4-yl)methylamino]-1,3-dihydroindol-2-one
CID 62655083
2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline
CID 43683047
5-[bromo-(4-bromo-2-chlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 63442972
6-chloro-5-[(5-nitrothiophen-3-yl)methylamino]-1,3-dihydroindol-2-one
CID 60811422
6-chloro-5-(piperidin-3-ylmethylamino)-1,3-dihydroindol-2-one
CID 80553609
N-[(4-bromo-2-fluorophenyl)methyl]-2,4-dichloroaniline
CID 43242981

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-fluorophenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 5-[(5-bromo-2-fluorophenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one (CID 43691679) is 5-[(5-bromo-2-fluorophenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[(5-bromo-2-fluorophenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[(5-bromo-2-fluorophenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one is O=C1Cc2cc(NCc3cc(Br)ccc3F)c(Cl)cc2N1.
What is the InChIKey of 5-[(5-bromo-2-fluorophenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one?
The InChIKey is LWMFJMPMTCCZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFN2O/c16-10-1-2-12(18)9(3-10)7-19-14-4-8-5-15(21)20-13(8)6-11(14)17/h1-4,6,19H,5,7H2,(H,20,21).
What are the key properties of 5-[(5-bromo-2-fluorophenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one?
5-[(5-bromo-2-fluorophenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one has a molecular weight of 369.62 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-fluorophenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 43691679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).