2-bromo-N-[3-[(2-bromobenzoyl)amino]-4-phenyldiazenylphenyl]benzamide

C26H18Br2N4O2 — CID 3642148

IUPAC2-bromo-N-[3-[(2-bromobenzoyl)amino]-4-phenyldiazenylphenyl]benzamide
SMILESO=C(Nc1ccc(/N=N/c2ccccc2)c(NC(=O)c2ccccc2Br)c1)c1ccccc1Br
InChIInChI=1S/C26H18Br2N4O2/c27-21-12-6-4-10-19(21)25(33)29-18-14-15-23(32-31-17-8-2-1-3-9-17)24(16-18)30-26(34)20-11-5-7-13-22(20)28/h1-16H,(H,29,33)(H,30,34)/b32-31+
InChIKeyDGZFRJHPLKRGHM-QNEJGDQOSA-N
MW578.26 g/mol
LogP8.13
Rot. Bonds6

About 2-bromo-N-[3-[(2-bromobenzoyl)amino]-4-phenyldiazenylphenyl]benzamide

2-bromo-N-[3-[(2-bromobenzoyl)amino]-4-phenyldiazenylphenyl]benzamide (PubChem CID 3642148) has the molecular formula C26H18Br2N4O2 and a molecular weight of 578.26 g/mol. Its IUPAC name is 2-bromo-N-[3-[(2-bromobenzoyl)amino]-4-phenyldiazenylphenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[3-[(2-bromobenzoyl)amino]-4-phenyldiazenylphenyl]benzamide
PubChem CID3642148
Molecular FormulaC26H18Br2N4O2
Molecular Weight578.26 g/mol
Exact Mass575.98
IUPAC Name2-bromo-N-[3-[(2-bromobenzoyl)amino]-4-phenyldiazenylphenyl]benzamide
SMILESO=C(Nc1ccc(/N=N/c2ccccc2)c(NC(=O)c2ccccc2Br)c1)c1ccccc1Br
InChIInChI=1S/C26H18Br2N4O2/c27-21-12-6-4-10-19(21)25(33)29-18-14-15-23(32-31-17-8-2-1-3-9-17)24(16-18)30-26(34)20-11-5-7-13-22(20)28/h1-16H,(H,29,33)(H,30,34)/b32-31+
InChIKeyDGZFRJHPLKRGHM-QNEJGDQOSA-N
XLogP8.13
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.26
LogP ≤ 58.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[3-[(4-bromobenzoyl)amino]-4-phenyldiazenylphenyl]benzamide
CID 4259733
3-methyl-N-[3-[(3-methylbenzoyl)amino]-4-phenyldiazenylphenyl]benzamide
CID 4250070
2-bromo-N-naphthalen-2-ylbenzamide
CID 4259663
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[4-phenyldiazenyl-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 4125852
2-bromo-N-(4-bromo-3-methylphenyl)benzamide
CID 2505928
2-[(2-bromobenzoyl)amino]-N-(4-bromophenyl)benzamide
CID 55358520
4-[(2-bromobenzoyl)amino]-2-chlorobenzoic acid
CID 28667151
2-(3-methoxyphenyl)-N-[3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyldiazenylphenyl]quinoline-4-carboxamide
CID 4275596
2-bromo-N-(3-methylphenyl)benzamide
CID 532187
2-bromo-N-(3-hydroxy-4-methylphenyl)benzamide
CID 837189
2-bromo-N-(3,5-dimethylphenyl)benzamide
CID 710587
2-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 2673412

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-[(2-bromobenzoyl)amino]-4-phenyldiazenylphenyl]benzamide?
The IUPAC name of 2-bromo-N-[3-[(2-bromobenzoyl)amino]-4-phenyldiazenylphenyl]benzamide (CID 3642148) is 2-bromo-N-[3-[(2-bromobenzoyl)amino]-4-phenyldiazenylphenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[3-[(2-bromobenzoyl)amino]-4-phenyldiazenylphenyl]benzamide?
The canonical SMILES for 2-bromo-N-[3-[(2-bromobenzoyl)amino]-4-phenyldiazenylphenyl]benzamide is O=C(Nc1ccc(/N=N/c2ccccc2)c(NC(=O)c2ccccc2Br)c1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[3-[(2-bromobenzoyl)amino]-4-phenyldiazenylphenyl]benzamide?
The InChIKey is DGZFRJHPLKRGHM-QNEJGDQOSA-N. The full InChI is InChI=1S/C26H18Br2N4O2/c27-21-12-6-4-10-19(21)25(33)29-18-14-15-23(32-31-17-8-2-1-3-9-17)24(16-18)30-26(34)20-11-5-7-13-22(20)28/h1-16H,(H,29,33)(H,30,34)/b32-31+.
What are the key properties of 2-bromo-N-[3-[(2-bromobenzoyl)amino]-4-phenyldiazenylphenyl]benzamide?
2-bromo-N-[3-[(2-bromobenzoyl)amino]-4-phenyldiazenylphenyl]benzamide has a molecular weight of 578.26 g/mol, XLogP of 8.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-[(2-bromobenzoyl)amino]-4-phenyldiazenylphenyl]benzamide is sourced from PubChem (CID 3642148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).