N-[4-[(4-acetamido-2,6-dibromophenyl)diazenyl]-3,5-dibromophenyl]acetamide

C16H12Br4N4O2 — CID 102528844

IUPACN-[4-[(4-acetamido-2,6-dibromophenyl)diazenyl]-3,5-dibromophenyl]acetamide
SMILESCC(=O)Nc1cc(Br)c(/N=N/c2c(Br)cc(NC(C)=O)cc2Br)c(Br)c1
InChIInChI=1S/C16H12Br4N4O2/c1-7(25)21-9-3-11(17)15(12(18)4-9)23-24-16-13(19)5-10(6-14(16)20)22-8(2)26/h3-6H,1-2H3,(H,21,25)(H,22,26)/b24-23+
InChIKeyQNTUUJRWZIHNBT-WCWDXBQESA-N
MW611.91 g/mol
LogP7.07
Rot. Bonds4

About N-[4-[(4-acetamido-2,6-dibromophenyl)diazenyl]-3,5-dibromophenyl]acetamide

N-[4-[(4-acetamido-2,6-dibromophenyl)diazenyl]-3,5-dibromophenyl]acetamide (PubChem CID 102528844) has the molecular formula C16H12Br4N4O2 and a molecular weight of 611.91 g/mol. Its IUPAC name is N-[4-[(4-acetamido-2,6-dibromophenyl)diazenyl]-3,5-dibromophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-acetamido-2,6-dibromophenyl)diazenyl]-3,5-dibromophenyl]acetamide
PubChem CID102528844
Molecular FormulaC16H12Br4N4O2
Molecular Weight611.91 g/mol
Exact Mass607.77
IUPAC NameN-[4-[(4-acetamido-2,6-dibromophenyl)diazenyl]-3,5-dibromophenyl]acetamide
SMILESCC(=O)Nc1cc(Br)c(/N=N/c2c(Br)cc(NC(C)=O)cc2Br)c(Br)c1
InChIInChI=1S/C16H12Br4N4O2/c1-7(25)21-9-3-11(17)15(12(18)4-9)23-24-16-13(19)5-10(6-14(16)20)22-8(2)26/h3-6H,1-2H3,(H,21,25)(H,22,26)/b24-23+
InChIKeyQNTUUJRWZIHNBT-WCWDXBQESA-N
XLogP7.07
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.91
LogP ≤ 57.07
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

N-[4-[(4-acetamido-2,6-difluorophenyl)diazenyl]-3,5-difluorophenyl]acetamide
CID 102314121
N-(3,5-diacetamidophenyl)acetamide
CID 12731559
N-[4-[[4-acetamido-2,6-bis(ethylsulfanyl)phenyl]diazenyl]-3,5-bis(ethylsulfanyl)phenyl]acetamide
CID 102225669
5-acetamido-2-bromobenzoate
CID 7010421
4-acetamido-N-[4-[(4-acetamidophenyl)diazenyl]phenyl]benzamide
CID 130360401
N-(3-methyl-5-sulfanylphenyl)acetamide
CID 59114064
N-(2,6-diacetamido-4-pyridinyl)acetamide
CID 69088952
3-acetamido-5-fluoro-N-hydroxybenzamide
CID 87663336
3,5-diacetamido-2-bromobenzoic acid
CID 142675642
N-[3-methyl-5-(methylcarbamoylamino)phenyl]acetamide
CID 129095419
N-[4-[[(3-bromo-4-methoxybenzoyl)amino]carbamoyl]phenyl]acetamide
CID 5119214
4-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]benzamide
CID 2579701

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-acetamido-2,6-dibromophenyl)diazenyl]-3,5-dibromophenyl]acetamide?
The IUPAC name of N-[4-[(4-acetamido-2,6-dibromophenyl)diazenyl]-3,5-dibromophenyl]acetamide (CID 102528844) is N-[4-[(4-acetamido-2,6-dibromophenyl)diazenyl]-3,5-dibromophenyl]acetamide.
What is the SMILES notation for N-[4-[(4-acetamido-2,6-dibromophenyl)diazenyl]-3,5-dibromophenyl]acetamide?
The canonical SMILES for N-[4-[(4-acetamido-2,6-dibromophenyl)diazenyl]-3,5-dibromophenyl]acetamide is CC(=O)Nc1cc(Br)c(/N=N/c2c(Br)cc(NC(C)=O)cc2Br)c(Br)c1.
What is the InChIKey of N-[4-[(4-acetamido-2,6-dibromophenyl)diazenyl]-3,5-dibromophenyl]acetamide?
The InChIKey is QNTUUJRWZIHNBT-WCWDXBQESA-N. The full InChI is InChI=1S/C16H12Br4N4O2/c1-7(25)21-9-3-11(17)15(12(18)4-9)23-24-16-13(19)5-10(6-14(16)20)22-8(2)26/h3-6H,1-2H3,(H,21,25)(H,22,26)/b24-23+.
What are the key properties of N-[4-[(4-acetamido-2,6-dibromophenyl)diazenyl]-3,5-dibromophenyl]acetamide?
N-[4-[(4-acetamido-2,6-dibromophenyl)diazenyl]-3,5-dibromophenyl]acetamide has a molecular weight of 611.91 g/mol, XLogP of 7.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-acetamido-2,6-dibromophenyl)diazenyl]-3,5-dibromophenyl]acetamide is sourced from PubChem (CID 102528844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).