N-(4-phenyldiazenylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide

C21H16F3N3O — CID 7927071

IUPACN-(4-phenyldiazenylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C21H16F3N3O/c22-21(23,24)16-6-4-5-15(13-16)14-20(28)25-17-9-11-19(12-10-17)27-26-18-7-2-1-3-8-18/h1-13H,14H2,(H,25,28)/b27-26+
InChIKeyRVNACVPXOXECDR-CYYJNZCTSA-N
MW383.37 g/mol
LogP6.30
Rot. Bonds5

About N-(4-phenyldiazenylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide

N-(4-phenyldiazenylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 7927071) has the molecular formula C21H16F3N3O and a molecular weight of 383.37 g/mol. Its IUPAC name is N-(4-phenyldiazenylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(4-phenyldiazenylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID7927071
Molecular FormulaC21H16F3N3O
Molecular Weight383.37 g/mol
Exact Mass383.12
IUPAC NameN-(4-phenyldiazenylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C21H16F3N3O/c22-21(23,24)16-6-4-5-15(13-16)14-20(28)25-17-9-11-19(12-10-17)27-26-18-7-2-1-3-8-18/h1-13H,14H2,(H,25,28)/b27-26+
InChIKeyRVNACVPXOXECDR-CYYJNZCTSA-N
XLogP6.30
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.37
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-anilinophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 161345978
N-methyl-2-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]acetamide
CID 38402676
N-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 4848940
N-methyl-4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide
CID 8700304
2-(3-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 123188980
2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid
CID 15574688
2-(3-aminophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 28712241
2-chloro-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide
CID 39997581
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8716542
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55865488
[2-(4-fluoroanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 7767521
N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8759670

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyldiazenylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(4-phenyldiazenylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide (CID 7927071) is N-(4-phenyldiazenylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(4-phenyldiazenylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(4-phenyldiazenylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of N-(4-phenyldiazenylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RVNACVPXOXECDR-CYYJNZCTSA-N. The full InChI is InChI=1S/C21H16F3N3O/c22-21(23,24)16-6-4-5-15(13-16)14-20(28)25-17-9-11-19(12-10-17)27-26-18-7-2-1-3-8-18/h1-13H,14H2,(H,25,28)/b27-26+.
What are the key properties of N-(4-phenyldiazenylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide?
N-(4-phenyldiazenylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 383.37 g/mol, XLogP of 6.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyldiazenylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 7927071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).