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

C16H12F4N4O2 — CID 102314121

IUPACN-[4-[(4-acetamido-2,6-difluorophenyl)diazenyl]-3,5-difluorophenyl]acetamide
SMILESCC(=O)Nc1cc(F)c(/N=N/c2c(F)cc(NC(C)=O)cc2F)c(F)c1
InChIInChI=1S/C16H12F4N4O2/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+
InChIKeyRMHFBOOWJOCICA-WCWDXBQESA-N
MW368.29 g/mol
LogP4.58
Rot. Bonds4

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

N-[4-[(4-acetamido-2,6-difluorophenyl)diazenyl]-3,5-difluorophenyl]acetamide (PubChem CID 102314121) has the molecular formula C16H12F4N4O2 and a molecular weight of 368.29 g/mol. Its IUPAC name is N-[4-[(4-acetamido-2,6-difluorophenyl)diazenyl]-3,5-difluorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-acetamido-2,6-difluorophenyl)diazenyl]-3,5-difluorophenyl]acetamide
PubChem CID102314121
Molecular FormulaC16H12F4N4O2
Molecular Weight368.29 g/mol
Exact Mass368.09
IUPAC NameN-[4-[(4-acetamido-2,6-difluorophenyl)diazenyl]-3,5-difluorophenyl]acetamide
SMILESCC(=O)Nc1cc(F)c(/N=N/c2c(F)cc(NC(C)=O)cc2F)c(F)c1
InChIInChI=1S/C16H12F4N4O2/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+
InChIKeyRMHFBOOWJOCICA-WCWDXBQESA-N
XLogP4.58
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.29
LogP ≤ 54.58
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-dibromophenyl)diazenyl]-3,5-dibromophenyl]acetamide
CID 102528844
N-(3,5-diacetamidophenyl)acetamide
CID 12731559
N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 3014069
N-(3-fluoro-4-iodophenyl)acetamide
CID 22991944
N-[4-[[4-acetamido-2,6-bis(ethylsulfanyl)phenyl]diazenyl]-3,5-bis(ethylsulfanyl)phenyl]acetamide
CID 102225669
N-(4-chloro-3-fluorophenyl)acetamide
CID 60776248
N-[4-bromo-3-fluoro-5-(trifluoromethyl)phenyl]acetamide
CID 59636055
N-(4-cyano-3-fluoro-5-methylphenyl)acetamide
CID 127264492
3-acetamido-5-fluoro-N-hydroxybenzamide
CID 87663336
N-(4-acetamido-2,5-difluorophenyl)acetamide
CID 176892585
4-acetyl-N-[4-[[4-(2,2-dimethylpropanoyl)-2,6-difluorophenyl]diazenyl]-3,5-difluorophenyl]benzamide;4-(2,2-dimethylpropanoyl)-N-[4-[[4-(2,2-dimethylpropyl)-2,6-difluorophenyl]diazenyl]-3,5-difluorophenyl]benzamide
CID 162201657
N-(3-fluoro-5-formyl-4-methoxyphenyl)acetamide
CID 84781458

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-acetamido-2,6-difluorophenyl)diazenyl]-3,5-difluorophenyl]acetamide?
The IUPAC name of N-[4-[(4-acetamido-2,6-difluorophenyl)diazenyl]-3,5-difluorophenyl]acetamide (CID 102314121) is N-[4-[(4-acetamido-2,6-difluorophenyl)diazenyl]-3,5-difluorophenyl]acetamide.
What is the SMILES notation for N-[4-[(4-acetamido-2,6-difluorophenyl)diazenyl]-3,5-difluorophenyl]acetamide?
The canonical SMILES for N-[4-[(4-acetamido-2,6-difluorophenyl)diazenyl]-3,5-difluorophenyl]acetamide is CC(=O)Nc1cc(F)c(/N=N/c2c(F)cc(NC(C)=O)cc2F)c(F)c1.
What is the InChIKey of N-[4-[(4-acetamido-2,6-difluorophenyl)diazenyl]-3,5-difluorophenyl]acetamide?
The InChIKey is RMHFBOOWJOCICA-WCWDXBQESA-N. The full InChI is InChI=1S/C16H12F4N4O2/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-difluorophenyl)diazenyl]-3,5-difluorophenyl]acetamide?
N-[4-[(4-acetamido-2,6-difluorophenyl)diazenyl]-3,5-difluorophenyl]acetamide has a molecular weight of 368.29 g/mol, XLogP of 4.58, 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-difluorophenyl)diazenyl]-3,5-difluorophenyl]acetamide is sourced from PubChem (CID 102314121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).