2,2,2-trifluoro-N-(2-nitro-4-phenyldiazenylphenyl)acetamide

C14H9F3N4O3 — CID 555918

IUPAC2,2,2-trifluoro-N-(2-nitro-4-phenyldiazenylphenyl)acetamide
SMILESO=C(Nc1ccc(/N=N/c2ccccc2)cc1[N+](=O)[O-])C(F)(F)F
InChIInChI=1S/C14H9F3N4O3/c15-14(16,17)13(22)18-11-7-6-10(8-12(11)21(23)24)20-19-9-4-2-1-3-5-9/h1-8H,(H,18,22)/b20-19+
InChIKeyRLDAOJLLHFROTK-FMQUCBEESA-N
MW338.25 g/mol
LogP4.51
Rot. Bonds4

About 2,2,2-trifluoro-N-(2-nitro-4-phenyldiazenylphenyl)acetamide

2,2,2-trifluoro-N-(2-nitro-4-phenyldiazenylphenyl)acetamide (PubChem CID 555918) has the molecular formula C14H9F3N4O3 and a molecular weight of 338.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-nitro-4-phenyldiazenylphenyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-nitro-4-phenyldiazenylphenyl)acetamide
PubChem CID555918
Molecular FormulaC14H9F3N4O3
Molecular Weight338.25 g/mol
Exact Mass338.06
IUPAC Name2,2,2-trifluoro-N-(2-nitro-4-phenyldiazenylphenyl)acetamide
SMILESO=C(Nc1ccc(/N=N/c2ccccc2)cc1[N+](=O)[O-])C(F)(F)F
InChIInChI=1S/C14H9F3N4O3/c15-14(16,17)13(22)18-11-7-6-10(8-12(11)21(23)24)20-19-9-4-2-1-3-5-9/h1-8H,(H,18,22)/b20-19+
InChIKeyRLDAOJLLHFROTK-FMQUCBEESA-N
XLogP4.51
TPSA96.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-[2-nitro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide
CID 121234879
2,2,2-trifluoro-N-[4-phenyldiazenyl-3-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 3636815
N-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 5060247
N-(5-chloro-4-fluoro-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 2779513
2,2,2-trifluoro-N-(2-nitro-4-propoxyphenyl)acetamide
CID 110493042
N-(4,5-dimethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 110443180
3,5-dinitro-4-[(2,2,2-trifluoroacetyl)amino]benzoic acid
CID 10019069
2,2,2-trifluoro-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide
CID 18543314
N-(2-ethyl-3-nitrophenyl)-2,2,2-trifluoroacetamide
CID 141000827
N-(2,4-dinitrophenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 2748511
3-[3-nitro-4-[(2,2,2-trifluoroacetyl)amino]phenyl]-N-quinolin-3-ylpropanamide
CID 19038210
N-[4,8-difluoro-5-(methylamino)-2,6-dinitronaphthalen-1-yl]-2,2,2-trifluoroacetamide;N-[4,8-difluoro-5-(methylamino)naphthalen-1-yl]-2,2,2-trifluoroacetamide
CID 159838646

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-nitro-4-phenyldiazenylphenyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-nitro-4-phenyldiazenylphenyl)acetamide (CID 555918) is 2,2,2-trifluoro-N-(2-nitro-4-phenyldiazenylphenyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-nitro-4-phenyldiazenylphenyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-nitro-4-phenyldiazenylphenyl)acetamide is O=C(Nc1ccc(/N=N/c2ccccc2)cc1[N+](=O)[O-])C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-nitro-4-phenyldiazenylphenyl)acetamide?
The InChIKey is RLDAOJLLHFROTK-FMQUCBEESA-N. The full InChI is InChI=1S/C14H9F3N4O3/c15-14(16,17)13(22)18-11-7-6-10(8-12(11)21(23)24)20-19-9-4-2-1-3-5-9/h1-8H,(H,18,22)/b20-19+.
What are the key properties of 2,2,2-trifluoro-N-(2-nitro-4-phenyldiazenylphenyl)acetamide?
2,2,2-trifluoro-N-(2-nitro-4-phenyldiazenylphenyl)acetamide has a molecular weight of 338.25 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-nitro-4-phenyldiazenylphenyl)acetamide is sourced from PubChem (CID 555918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).