(3R)-3-[(4-bromophenyl)methylamino]-3-phenyl-1H-indol-2-one

C21H17BrN2O — CID 122496530

IUPAC(3R)-3-[(4-bromophenyl)methylamino]-3-phenyl-1H-indol-2-one
SMILESO=C1Nc2ccccc2[C@]1(NCc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C21H17BrN2O/c22-17-12-10-15(11-13-17)14-23-21(16-6-2-1-3-7-16)18-8-4-5-9-19(18)24-20(21)25/h1-13,23H,14H2,(H,24,25)/t21-/m1/s1
InChIKeyAFTILVASKUXTHI-OAQYLSRUSA-N
MW393.28 g/mol
LogP4.43
Rot. Bonds4

About (3R)-3-[(4-bromophenyl)methylamino]-3-phenyl-1H-indol-2-one

(3R)-3-[(4-bromophenyl)methylamino]-3-phenyl-1H-indol-2-one (PubChem CID 122496530) has the molecular formula C21H17BrN2O and a molecular weight of 393.28 g/mol. Its IUPAC name is (3R)-3-[(4-bromophenyl)methylamino]-3-phenyl-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-[(4-bromophenyl)methylamino]-3-phenyl-1H-indol-2-one
PubChem CID122496530
Molecular FormulaC21H17BrN2O
Molecular Weight393.28 g/mol
Exact Mass392.05
IUPAC Name(3R)-3-[(4-bromophenyl)methylamino]-3-phenyl-1H-indol-2-one
SMILESO=C1Nc2ccccc2[C@]1(NCc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C21H17BrN2O/c22-17-12-10-15(11-13-17)14-23-21(16-6-2-1-3-7-16)18-8-4-5-9-19(18)24-20(21)25/h1-13,23H,14H2,(H,24,25)/t21-/m1/s1
InChIKeyAFTILVASKUXTHI-OAQYLSRUSA-N
XLogP4.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-bromophenyl)methylamino]-3-phenyl-1H-indol-2-one?
The IUPAC name of (3R)-3-[(4-bromophenyl)methylamino]-3-phenyl-1H-indol-2-one (CID 122496530) is (3R)-3-[(4-bromophenyl)methylamino]-3-phenyl-1H-indol-2-one.
What is the SMILES notation for (3R)-3-[(4-bromophenyl)methylamino]-3-phenyl-1H-indol-2-one?
The canonical SMILES for (3R)-3-[(4-bromophenyl)methylamino]-3-phenyl-1H-indol-2-one is O=C1Nc2ccccc2[C@]1(NCc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of (3R)-3-[(4-bromophenyl)methylamino]-3-phenyl-1H-indol-2-one?
The InChIKey is AFTILVASKUXTHI-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H17BrN2O/c22-17-12-10-15(11-13-17)14-23-21(16-6-2-1-3-7-16)18-8-4-5-9-19(18)24-20(21)25/h1-13,23H,14H2,(H,24,25)/t21-/m1/s1.
What are the key properties of (3R)-3-[(4-bromophenyl)methylamino]-3-phenyl-1H-indol-2-one?
(3R)-3-[(4-bromophenyl)methylamino]-3-phenyl-1H-indol-2-one has a molecular weight of 393.28 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-bromophenyl)methylamino]-3-phenyl-1H-indol-2-one is sourced from PubChem (CID 122496530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).