3-amino-4-bromo-1-[(4-methylphenyl)methyl]-3H-indol-2-one

C16H15BrN2O — CID 43255225

IUPAC3-amino-4-bromo-1-[(4-methylphenyl)methyl]-3H-indol-2-one
SMILESCc1ccc(CN2C(=O)C(N)c3c(Br)cccc32)cc1
InChIInChI=1S/C16H15BrN2O/c1-10-5-7-11(8-6-10)9-19-13-4-2-3-12(17)14(13)15(18)16(19)20/h2-8,15H,9,18H2,1H3
InChIKeyFYEYTKUSKJUUJV-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.30
Rot. Bonds2

About 3-amino-4-bromo-1-[(4-methylphenyl)methyl]-3H-indol-2-one

3-amino-4-bromo-1-[(4-methylphenyl)methyl]-3H-indol-2-one (PubChem CID 43255225) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is 3-amino-4-bromo-1-[(4-methylphenyl)methyl]-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-4-bromo-1-[(4-methylphenyl)methyl]-3H-indol-2-one
PubChem CID43255225
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name3-amino-4-bromo-1-[(4-methylphenyl)methyl]-3H-indol-2-one
SMILESCc1ccc(CN2C(=O)C(N)c3c(Br)cccc32)cc1
InChIInChI=1S/C16H15BrN2O/c1-10-5-7-11(8-6-10)9-19-13-4-2-3-12(17)14(13)15(18)16(19)20/h2-8,15H,9,18H2,1H3
InChIKeyFYEYTKUSKJUUJV-UHFFFAOYSA-N
XLogP3.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]-3H-indol-2-one
CID 43255213
3-amino-5-chloro-1-[(4-methylphenyl)methyl]-3H-indol-2-one
CID 43254913
2-(3-amino-4-bromo-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide
CID 43255232
(2R)-2-methyl-4-[(4-methylphenyl)methyl]-1,4-benzoxazin-3-one
CID 1431675
(3S)-3-amino-1-[(4-fluorophenyl)methyl]-5-methyl-3H-indol-2-one
CID 99644340
3-amino-1-[(4-methoxyphenyl)methyl]-5-methyl-3H-indol-2-one
CID 43254825
3-amino-6-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one
CID 43255296
1-[(4-methylphenyl)methyl]-3H-indol-2-one
CID 82083873
3-methyl-5-[(4-methylphenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde
CID 19243459
(7R)-7-amino-5-[(4-methoxyphenyl)methyl]-7H-benzo[d][1]benzazepin-6-one
CID 69040290
3-amino-1-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-3H-indol-2-one
CID 43254866
(3S)-3-amino-5-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one
CID 98081113

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-1-[(4-methylphenyl)methyl]-3H-indol-2-one?
The IUPAC name of 3-amino-4-bromo-1-[(4-methylphenyl)methyl]-3H-indol-2-one (CID 43255225) is 3-amino-4-bromo-1-[(4-methylphenyl)methyl]-3H-indol-2-one.
What is the SMILES notation for 3-amino-4-bromo-1-[(4-methylphenyl)methyl]-3H-indol-2-one?
The canonical SMILES for 3-amino-4-bromo-1-[(4-methylphenyl)methyl]-3H-indol-2-one is Cc1ccc(CN2C(=O)C(N)c3c(Br)cccc32)cc1.
What is the InChIKey of 3-amino-4-bromo-1-[(4-methylphenyl)methyl]-3H-indol-2-one?
The InChIKey is FYEYTKUSKJUUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-10-5-7-11(8-6-10)9-19-13-4-2-3-12(17)14(13)15(18)16(19)20/h2-8,15H,9,18H2,1H3.
What are the key properties of 3-amino-4-bromo-1-[(4-methylphenyl)methyl]-3H-indol-2-one?
3-amino-4-bromo-1-[(4-methylphenyl)methyl]-3H-indol-2-one has a molecular weight of 331.21 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-1-[(4-methylphenyl)methyl]-3H-indol-2-one is sourced from PubChem (CID 43255225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).