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

C26H18Br2N4O2 — CID 4259733

IUPAC4-bromo-N-[3-[(4-bromobenzoyl)amino]-4-phenyldiazenylphenyl]benzamide
SMILESO=C(Nc1ccc(/N=N/c2ccccc2)c(NC(=O)c2ccc(Br)cc2)c1)c1ccc(Br)cc1
InChIInChI=1S/C26H18Br2N4O2/c27-19-10-6-17(7-11-19)25(33)29-22-14-15-23(32-31-21-4-2-1-3-5-21)24(16-22)30-26(34)18-8-12-20(28)13-9-18/h1-16H,(H,29,33)(H,30,34)/b32-31+
InChIKeyOHUCPDRWTGSQCW-QNEJGDQOSA-N
MW578.26 g/mol
LogP8.13
Rot. Bonds6

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

4-bromo-N-[3-[(4-bromobenzoyl)amino]-4-phenyldiazenylphenyl]benzamide (PubChem CID 4259733) has the molecular formula C26H18Br2N4O2 and a molecular weight of 578.26 g/mol. Its IUPAC name is 4-bromo-N-[3-[(4-bromobenzoyl)amino]-4-phenyldiazenylphenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-[(4-bromobenzoyl)amino]-4-phenyldiazenylphenyl]benzamide
PubChem CID4259733
Molecular FormulaC26H18Br2N4O2
Molecular Weight578.26 g/mol
Exact Mass575.98
IUPAC Name4-bromo-N-[3-[(4-bromobenzoyl)amino]-4-phenyldiazenylphenyl]benzamide
SMILESO=C(Nc1ccc(/N=N/c2ccccc2)c(NC(=O)c2ccc(Br)cc2)c1)c1ccc(Br)cc1
InChIInChI=1S/C26H18Br2N4O2/c27-19-10-6-17(7-11-19)25(33)29-22-14-15-23(32-31-21-4-2-1-3-5-21)24(16-22)30-26(34)18-8-12-20(28)13-9-18/h1-16H,(H,29,33)(H,30,34)/b32-31+
InChIKeyOHUCPDRWTGSQCW-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'}

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

2-bromo-N-[3-[(2-bromobenzoyl)amino]-4-phenyldiazenylphenyl]benzamide
CID 3642148
3-methyl-N-[3-[(3-methylbenzoyl)amino]-4-phenyldiazenylphenyl]benzamide
CID 4250070
(E)-3-(4-bromophenyl)-N-[3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide
CID 6282998
2,2,2-trifluoro-N-[4-phenyldiazenyl-3-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 3636815
N-[3-[(1,3-dioxo-2-benzofuran-5-carbonyl)amino]-4-[(4-methylphenyl)diazenyl]phenyl]-1,3-dioxo-2-benzofuran-5-carboxamide
CID 102320112
N-[3-(butanoylamino)-4-phenyldiazenylphenyl]butanamide
CID 4526974
ethane;N-phenyl-4-phenyldiazenylbenzamide
CID 159586308
N-(4-bromophenyl)-4-phenylbenzamide
CID 1081912
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
4-bromo-N-[2-(4-bromoanilino)phenyl]benzamide
CID 70803763
4-bromo-N-[3-[(4-bromobenzoyl)amino]-4-nitrophenyl]benzamide
CID 3458872
4-bromo-N-(3-bromo-4-hydroxyphenyl)benzamide
CID 3482679

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[(4-bromobenzoyl)amino]-4-phenyldiazenylphenyl]benzamide?
The IUPAC name of 4-bromo-N-[3-[(4-bromobenzoyl)amino]-4-phenyldiazenylphenyl]benzamide (CID 4259733) is 4-bromo-N-[3-[(4-bromobenzoyl)amino]-4-phenyldiazenylphenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-[(4-bromobenzoyl)amino]-4-phenyldiazenylphenyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-[(4-bromobenzoyl)amino]-4-phenyldiazenylphenyl]benzamide is O=C(Nc1ccc(/N=N/c2ccccc2)c(NC(=O)c2ccc(Br)cc2)c1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[3-[(4-bromobenzoyl)amino]-4-phenyldiazenylphenyl]benzamide?
The InChIKey is OHUCPDRWTGSQCW-QNEJGDQOSA-N. The full InChI is InChI=1S/C26H18Br2N4O2/c27-19-10-6-17(7-11-19)25(33)29-22-14-15-23(32-31-21-4-2-1-3-5-21)24(16-22)30-26(34)18-8-12-20(28)13-9-18/h1-16H,(H,29,33)(H,30,34)/b32-31+.
What are the key properties of 4-bromo-N-[3-[(4-bromobenzoyl)amino]-4-phenyldiazenylphenyl]benzamide?
4-bromo-N-[3-[(4-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 4-bromo-N-[3-[(4-bromobenzoyl)amino]-4-phenyldiazenylphenyl]benzamide is sourced from PubChem (CID 4259733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).