2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-4-bromobenzonitrile

C15H11BrN4O — CID 107797097

IUPAC2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-4-bromobenzonitrile
SMILESN#Cc1ccc(Br)cc1Nc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C15H11BrN4O/c16-10-2-1-8(7-17)12(5-10)19-14-6-13-9(3-11(14)18)4-15(21)20-13/h1-3,5-6,19H,4,18H2,(H,20,21)
InChIKeyIIMIJDVRQSULSO-UHFFFAOYSA-N
MW343.18 g/mol
LogP3.14
Rot. Bonds2

About 2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-4-bromobenzonitrile

2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-4-bromobenzonitrile (PubChem CID 107797097) has the molecular formula C15H11BrN4O and a molecular weight of 343.18 g/mol. Its IUPAC name is 2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-4-bromobenzonitrile.

Molecular Properties

Compound Name2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-4-bromobenzonitrile
PubChem CID107797097
Molecular FormulaC15H11BrN4O
Molecular Weight343.18 g/mol
Exact Mass342.01
IUPAC Name2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-4-bromobenzonitrile
SMILESN#Cc1ccc(Br)cc1Nc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C15H11BrN4O/c16-10-2-1-8(7-17)12(5-10)19-14-6-13-9(3-11(14)18)4-15(21)20-13/h1-3,5-6,19H,4,18H2,(H,20,21)
InChIKeyIIMIJDVRQSULSO-UHFFFAOYSA-N
XLogP3.14
TPSA90.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-6-(4-fluoroanilino)-1,3-dihydroindol-2-one
CID 43451771
2-(2-amino-4,5-dichloroanilino)-4-bromobenzonitrile
CID 107797069
6-amino-7-(5-bromo-2-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one
CID 43555546
5-amino-6-(2,4,5-trifluoroanilino)-1,3-dihydroindol-2-one
CID 62814499
2-(2-amino-5-bromoanilino)-4-chlorobenzonitrile
CID 65342420
5-amino-6-[2-(dimethylamino)anilino]-1,3-dihydroindol-2-one
CID 106759462
5-amino-6-(2,3,5-trifluoroanilino)-1,3-dihydroindol-2-one
CID 62808776
7-amino-6-(5-bromo-2-methylanilino)-3,4-dihydro-1H-quinolin-2-one
CID 43805901
5-amino-6-(3,4,5-trifluoroanilino)-1,3-dihydroindol-2-one
CID 62809822
5-amino-6-(2-aminoethylamino)-1,3-dihydroindol-2-one
CID 62480998
4-(5-bromo-2-cyanoanilino)benzamide
CID 114901303
5-amino-6-(cyclopentylmethylamino)-1,3-dihydroindol-2-one
CID 43383183

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-4-bromobenzonitrile?
The IUPAC name of 2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-4-bromobenzonitrile (CID 107797097) is 2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-4-bromobenzonitrile.
What is the SMILES notation for 2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-4-bromobenzonitrile?
The canonical SMILES for 2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-4-bromobenzonitrile is N#Cc1ccc(Br)cc1Nc1cc2c(cc1N)CC(=O)N2.
What is the InChIKey of 2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-4-bromobenzonitrile?
The InChIKey is IIMIJDVRQSULSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4O/c16-10-2-1-8(7-17)12(5-10)19-14-6-13-9(3-11(14)18)4-15(21)20-13/h1-3,5-6,19H,4,18H2,(H,20,21).
What are the key properties of 2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-4-bromobenzonitrile?
2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-4-bromobenzonitrile has a molecular weight of 343.18 g/mol, XLogP of 3.14, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-4-bromobenzonitrile is sourced from PubChem (CID 107797097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).