2,2,2-trifluoro-N-[4-phenyldiazenyl-3-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide

C16H10F6N4O2 — CID 3636815

IUPAC2,2,2-trifluoro-N-[4-phenyldiazenyl-3-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
SMILESO=C(Nc1ccc(/N=N/c2ccccc2)c(NC(=O)C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C16H10F6N4O2/c17-15(18,19)13(27)23-10-6-7-11(26-25-9-4-2-1-3-5-9)12(8-10)24-14(28)16(20,21)22/h1-8H,(H,23,27)(H,24,28)/b26-25+
InChIKeyGAGPGJSWMURJFA-OCEACIFDSA-N
MW404.27 g/mol
LogP5.10
Rot. Bonds4

About 2,2,2-trifluoro-N-[4-phenyldiazenyl-3-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide

2,2,2-trifluoro-N-[4-phenyldiazenyl-3-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide (PubChem CID 3636815) has the molecular formula C16H10F6N4O2 and a molecular weight of 404.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-phenyldiazenyl-3-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-phenyldiazenyl-3-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
PubChem CID3636815
Molecular FormulaC16H10F6N4O2
Molecular Weight404.27 g/mol
Exact Mass404.07
IUPAC Name2,2,2-trifluoro-N-[4-phenyldiazenyl-3-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
SMILESO=C(Nc1ccc(/N=N/c2ccccc2)c(NC(=O)C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C16H10F6N4O2/c17-15(18,19)13(27)23-10-6-7-11(26-25-9-4-2-1-3-5-9)12(8-10)24-14(28)16(20,21)22/h1-8H,(H,23,27)(H,24,28)/b26-25+
InChIKeyGAGPGJSWMURJFA-OCEACIFDSA-N
XLogP5.10
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.27
LogP ≤ 55.10
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'}

Analyze 2,2,2-trifluoro-N-[4-phenyldiazenyl-3-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[4-phenyldiazenyl-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 4125852
N-[3-(butanoylamino)-4-phenyldiazenylphenyl]butanamide
CID 4526974
2-bromo-N-[3-[(2-bromobenzoyl)amino]-4-phenyldiazenylphenyl]benzamide
CID 3642148
4-bromo-N-[3-[(4-bromobenzoyl)amino]-4-phenyldiazenylphenyl]benzamide
CID 4259733
(E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide
CID 6269441
3-methyl-N-[3-[(3-methylbenzoyl)amino]-4-phenyldiazenylphenyl]benzamide
CID 4250070
N-[3-(octadecanoylamino)-4-phenyldiazenylphenyl]octadecanamide
CID 71404813
N-[3-(octanoylamino)-4-phenyldiazenylphenyl]octanamide
CID 5050785
N-[3-(decanoylamino)-4-phenyldiazenylphenyl]decanamide
CID 3615638
2,2,2-trifluoro-N-(2-nitro-4-phenyldiazenylphenyl)acetamide
CID 555918
N-(5-methyl-2-phenyldiazenylphenyl)acetamide
CID 154602849
(E)-3-(4-bromophenyl)-N-[3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide
CID 6282998

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-phenyldiazenyl-3-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-phenyldiazenyl-3-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide (CID 3636815) is 2,2,2-trifluoro-N-[4-phenyldiazenyl-3-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-phenyldiazenyl-3-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-phenyldiazenyl-3-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide is O=C(Nc1ccc(/N=N/c2ccccc2)c(NC(=O)C(F)(F)F)c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[4-phenyldiazenyl-3-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide?
The InChIKey is GAGPGJSWMURJFA-OCEACIFDSA-N. The full InChI is InChI=1S/C16H10F6N4O2/c17-15(18,19)13(27)23-10-6-7-11(26-25-9-4-2-1-3-5-9)12(8-10)24-14(28)16(20,21)22/h1-8H,(H,23,27)(H,24,28)/b26-25+.
What are the key properties of 2,2,2-trifluoro-N-[4-phenyldiazenyl-3-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide?
2,2,2-trifluoro-N-[4-phenyldiazenyl-3-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide has a molecular weight of 404.27 g/mol, XLogP of 5.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-phenyldiazenyl-3-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide is sourced from PubChem (CID 3636815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).