N-[2-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-3-fluorobenzamide

C17H11Br2FN4O3 — CID 1420173

IUPACN-[2-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-3-fluorobenzamide
SMILESO=C(CNC(=O)c1cccc(F)c1)/N=N/c1c(O)[nH]c2c(Br)cc(Br)cc12
InChIInChI=1S/C17H11Br2FN4O3/c18-9-5-11-14(12(19)6-9)22-17(27)15(11)24-23-13(25)7-21-16(26)8-2-1-3-10(20)4-8/h1-6,22,27H,7H2,(H,21,26)/b24-23+
InChIKeyMDPDNWSBNMDERA-WCWDXBQESA-N
MW498.11 g/mol
LogP4.58
Rot. Bonds4

About N-[2-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-3-fluorobenzamide

N-[2-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-3-fluorobenzamide (PubChem CID 1420173) has the molecular formula C17H11Br2FN4O3 and a molecular weight of 498.11 g/mol. Its IUPAC name is N-[2-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-3-fluorobenzamide
PubChem CID1420173
Molecular FormulaC17H11Br2FN4O3
Molecular Weight498.11 g/mol
Exact Mass495.92
IUPAC NameN-[2-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-3-fluorobenzamide
SMILESO=C(CNC(=O)c1cccc(F)c1)/N=N/c1c(O)[nH]c2c(Br)cc(Br)cc12
InChIInChI=1S/C17H11Br2FN4O3/c18-9-5-11-14(12(19)6-9)22-17(27)15(11)24-23-13(25)7-21-16(26)8-2-1-3-10(20)4-8/h1-6,22,27H,7H2,(H,21,26)/b24-23+
InChIKeyMDPDNWSBNMDERA-WCWDXBQESA-N
XLogP4.58
TPSA106.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.11
LogP ≤ 54.58
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-[2-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-3-fluorobenzamide 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]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 1399782
(3S,4R)-N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 135890918
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-[2-[(2E)-2-[(5-bromo-2-hydroxy-3-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide
CID 135419454
N-[2-(ethylamino)-2-oxoethyl]-3-fluorobenzamide
CID 60636583
N-(3,3-dimethyl-2-oxobutyl)-3-fluorobenzamide
CID 64991573
3-bromo-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide
CID 3880557
N-[3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-3-oxopropyl]benzamide
CID 4997686
3-fluoro-N-hydroxybenzamide
CID 5082377
3-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
CID 82725712

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-3-fluorobenzamide (CID 1420173) is N-[2-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-3-fluorobenzamide is O=C(CNC(=O)c1cccc(F)c1)/N=N/c1c(O)[nH]c2c(Br)cc(Br)cc12.
What is the InChIKey of N-[2-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-3-fluorobenzamide?
The InChIKey is MDPDNWSBNMDERA-WCWDXBQESA-N. The full InChI is InChI=1S/C17H11Br2FN4O3/c18-9-5-11-14(12(19)6-9)22-17(27)15(11)24-23-13(25)7-21-16(26)8-2-1-3-10(20)4-8/h1-6,22,27H,7H2,(H,21,26)/b24-23+.
What are the key properties of N-[2-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-3-fluorobenzamide?
N-[2-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-3-fluorobenzamide has a molecular weight of 498.11 g/mol, XLogP of 4.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-3-fluorobenzamide is sourced from PubChem (CID 1420173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).