N-[(2S)-1-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxopropan-2-yl]benzamide

C18H14Br2N4O3 — CID 2322751

IUPACN-[(2S)-1-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxopropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1)C(=O)/N=N/c1c(O)[nH]c2c(Br)cc(Br)cc12
InChIInChI=1S/C18H14Br2N4O3/c1-9(21-17(26)10-5-3-2-4-6-10)16(25)24-23-15-12-7-11(19)8-13(20)14(12)22-18(15)27/h2-9,22,27H,1H3,(H,21,26)/b24-23+/t9-/m0/s1
InChIKeyZOFINFUPQSTMOQ-VXNFVLHESA-N
MW494.14 g/mol
LogP4.83
Rot. Bonds4

About N-[(2S)-1-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxopropan-2-yl]benzamide

N-[(2S)-1-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxopropan-2-yl]benzamide (PubChem CID 2322751) has the molecular formula C18H14Br2N4O3 and a molecular weight of 494.14 g/mol. Its IUPAC name is N-[(2S)-1-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxopropan-2-yl]benzamide
PubChem CID2322751
Molecular FormulaC18H14Br2N4O3
Molecular Weight494.14 g/mol
Exact Mass491.94
IUPAC NameN-[(2S)-1-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxopropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1)C(=O)/N=N/c1c(O)[nH]c2c(Br)cc(Br)cc12
InChIInChI=1S/C18H14Br2N4O3/c1-9(21-17(26)10-5-3-2-4-6-10)16(25)24-23-15-12-7-11(19)8-13(20)14(12)22-18(15)27/h2-9,22,27H,1H3,(H,21,26)/b24-23+/t9-/m0/s1
InChIKeyZOFINFUPQSTMOQ-VXNFVLHESA-N
XLogP4.83
TPSA106.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.14
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze N-[(2S)-1-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxopropan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 4571048
N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-3-nitrobenzamide
CID 3093249
N-[2-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-3-fluorobenzamide
CID 1420173
N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide
CID 1381505
2-(4-chlorophenoxy)-N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]pentanamide
CID 4634483
N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]heptanamide
CID 4011928
(3S,4R)-N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 135890918
N-[(7-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-hydroxybenzamide
CID 135582985
3-bromo-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide
CID 3880557
5-bromo-7-methyl-3-phenyldiazenyl-1H-indol-2-ol
CID 5057935
N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 1399782
(2R)-2-benzylsulfanyl-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]propanamide
CID 137077951

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[(2S)-1-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxopropan-2-yl]benzamide (CID 2322751) is N-[(2S)-1-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-1-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-1-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxopropan-2-yl]benzamide is C[C@H](NC(=O)c1ccccc1)C(=O)/N=N/c1c(O)[nH]c2c(Br)cc(Br)cc12.
What is the InChIKey of N-[(2S)-1-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxopropan-2-yl]benzamide?
The InChIKey is ZOFINFUPQSTMOQ-VXNFVLHESA-N. The full InChI is InChI=1S/C18H14Br2N4O3/c1-9(21-17(26)10-5-3-2-4-6-10)16(25)24-23-15-12-7-11(19)8-13(20)14(12)22-18(15)27/h2-9,22,27H,1H3,(H,21,26)/b24-23+/t9-/m0/s1.
What are the key properties of N-[(2S)-1-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxopropan-2-yl]benzamide?
N-[(2S)-1-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxopropan-2-yl]benzamide has a molecular weight of 494.14 g/mol, XLogP of 4.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 2322751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).