N-(2-bromo-4-nitrophenyl)-N-[(2-bromo-4-nitrophenyl)diazenyl]-4-fluorobenzamide

C19H10Br2FN5O5 — CID 53329958

IUPACN-(2-bromo-4-nitrophenyl)-N-[(2-bromo-4-nitrophenyl)diazenyl]-4-fluorobenzamide
SMILESO=C(c1ccc(F)cc1)N(/N=N/c1ccc([N+](=O)[O-])cc1Br)c1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C19H10Br2FN5O5/c20-15-9-13(26(29)30)5-7-17(15)23-24-25(19(28)11-1-3-12(22)4-2-11)18-8-6-14(27(31)32)10-16(18)21/h1-10H/b24-23+
InChIKeyGOGIAXGOSSTBQC-WCWDXBQESA-N
MW567.13 g/mol
LogP6.51
Rot. Bonds6

About N-(2-bromo-4-nitrophenyl)-N-[(2-bromo-4-nitrophenyl)diazenyl]-4-fluorobenzamide

N-(2-bromo-4-nitrophenyl)-N-[(2-bromo-4-nitrophenyl)diazenyl]-4-fluorobenzamide (PubChem CID 53329958) has the molecular formula C19H10Br2FN5O5 and a molecular weight of 567.13 g/mol. Its IUPAC name is N-(2-bromo-4-nitrophenyl)-N-[(2-bromo-4-nitrophenyl)diazenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-(2-bromo-4-nitrophenyl)-N-[(2-bromo-4-nitrophenyl)diazenyl]-4-fluorobenzamide
PubChem CID53329958
Molecular FormulaC19H10Br2FN5O5
Molecular Weight567.13 g/mol
Exact Mass564.90
IUPAC NameN-(2-bromo-4-nitrophenyl)-N-[(2-bromo-4-nitrophenyl)diazenyl]-4-fluorobenzamide
SMILESO=C(c1ccc(F)cc1)N(/N=N/c1ccc([N+](=O)[O-])cc1Br)c1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C19H10Br2FN5O5/c20-15-9-13(26(29)30)5-7-17(15)23-24-25(19(28)11-1-3-12(22)4-2-11)18-8-6-14(27(31)32)10-16(18)21/h1-10H/b24-23+
InChIKeyGOGIAXGOSSTBQC-WCWDXBQESA-N
XLogP6.51
TPSA131.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.13
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(2-bromo-4-nitrophenyl)-N-[(2-bromo-4-nitrophenyl)diazenyl]-4-fluorobenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-nitrophenyl)-N-[(2-bromo-4-nitrophenyl)diazenyl]-4-fluorobenzamide?
The IUPAC name of N-(2-bromo-4-nitrophenyl)-N-[(2-bromo-4-nitrophenyl)diazenyl]-4-fluorobenzamide (CID 53329958) is N-(2-bromo-4-nitrophenyl)-N-[(2-bromo-4-nitrophenyl)diazenyl]-4-fluorobenzamide.
What is the SMILES notation for N-(2-bromo-4-nitrophenyl)-N-[(2-bromo-4-nitrophenyl)diazenyl]-4-fluorobenzamide?
The canonical SMILES for N-(2-bromo-4-nitrophenyl)-N-[(2-bromo-4-nitrophenyl)diazenyl]-4-fluorobenzamide is O=C(c1ccc(F)cc1)N(/N=N/c1ccc([N+](=O)[O-])cc1Br)c1ccc([N+](=O)[O-])cc1Br.
What is the InChIKey of N-(2-bromo-4-nitrophenyl)-N-[(2-bromo-4-nitrophenyl)diazenyl]-4-fluorobenzamide?
The InChIKey is GOGIAXGOSSTBQC-WCWDXBQESA-N. The full InChI is InChI=1S/C19H10Br2FN5O5/c20-15-9-13(26(29)30)5-7-17(15)23-24-25(19(28)11-1-3-12(22)4-2-11)18-8-6-14(27(31)32)10-16(18)21/h1-10H/b24-23+.
What are the key properties of N-(2-bromo-4-nitrophenyl)-N-[(2-bromo-4-nitrophenyl)diazenyl]-4-fluorobenzamide?
N-(2-bromo-4-nitrophenyl)-N-[(2-bromo-4-nitrophenyl)diazenyl]-4-fluorobenzamide has a molecular weight of 567.13 g/mol, XLogP of 6.51, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-nitrophenyl)-N-[(2-bromo-4-nitrophenyl)diazenyl]-4-fluorobenzamide is sourced from PubChem (CID 53329958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).