N-(4-phenyldiazenylphenyl)-4-(trifluoromethoxy)benzamide

C20H14F3N3O2 — CID 7927077

IUPACN-(4-phenyldiazenylphenyl)-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H14F3N3O2/c21-20(22,23)28-18-12-6-14(7-13-18)19(27)24-15-8-10-17(11-9-15)26-25-16-4-2-1-3-5-16/h1-13H,(H,24,27)/b26-25+
InChIKeyVYAMTTCPKHABGJ-OCEACIFDSA-N
MW385.35 g/mol
LogP6.25
Rot. Bonds5

About N-(4-phenyldiazenylphenyl)-4-(trifluoromethoxy)benzamide

N-(4-phenyldiazenylphenyl)-4-(trifluoromethoxy)benzamide (PubChem CID 7927077) has the molecular formula C20H14F3N3O2 and a molecular weight of 385.35 g/mol. Its IUPAC name is N-(4-phenyldiazenylphenyl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(4-phenyldiazenylphenyl)-4-(trifluoromethoxy)benzamide
PubChem CID7927077
Molecular FormulaC20H14F3N3O2
Molecular Weight385.35 g/mol
Exact Mass385.10
IUPAC NameN-(4-phenyldiazenylphenyl)-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H14F3N3O2/c21-20(22,23)28-18-12-6-14(7-13-18)19(27)24-15-8-10-17(11-9-15)26-25-16-4-2-1-3-5-16/h1-13H,(H,24,27)/b26-25+
InChIKeyVYAMTTCPKHABGJ-OCEACIFDSA-N
XLogP6.25
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.35
LogP ≤ 56.25
H-Bond Donors ≤ 51
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-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 107020507
4-(phenoxymethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7957132
ethane;N-phenyl-4-phenyldiazenylbenzamide
CID 159586308
N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-4-(trifluoromethoxy)benzamide
CID 87444403
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide
CID 26522670
N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide
CID 7925236
4-methylsulfinyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 51191579
3-[[4-(trifluoromethoxy)benzoyl]amino]benzoic acid;hydrochloride
CID 67278377
N'-phenyl-4-(trifluoromethoxy)benzohydrazide
CID 78774950
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(trifluoromethoxy)benzamide
CID 16580992

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyldiazenylphenyl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(4-phenyldiazenylphenyl)-4-(trifluoromethoxy)benzamide (CID 7927077) is N-(4-phenyldiazenylphenyl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(4-phenyldiazenylphenyl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(4-phenyldiazenylphenyl)-4-(trifluoromethoxy)benzamide is O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(4-phenyldiazenylphenyl)-4-(trifluoromethoxy)benzamide?
The InChIKey is VYAMTTCPKHABGJ-OCEACIFDSA-N. The full InChI is InChI=1S/C20H14F3N3O2/c21-20(22,23)28-18-12-6-14(7-13-18)19(27)24-15-8-10-17(11-9-15)26-25-16-4-2-1-3-5-16/h1-13H,(H,24,27)/b26-25+.
What are the key properties of N-(4-phenyldiazenylphenyl)-4-(trifluoromethoxy)benzamide?
N-(4-phenyldiazenylphenyl)-4-(trifluoromethoxy)benzamide has a molecular weight of 385.35 g/mol, XLogP of 6.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyldiazenylphenyl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 7927077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).