5-chloro-2-[[2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]-N-hydroxybenzeneamine oxide

C10H6Cl2F6N2O3 — CID 163154723

IUPAC5-chloro-2-[[2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]-N-hydroxybenzeneamine oxide
SMILESO=C(Nc1ccc(Cl)cc1[NH+]([O-])O)C(Cl)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H6Cl2F6N2O3/c11-4-1-2-5(6(3-4)20(22)23)19-7(21)8(12,9(13,14)15)10(16,17)18/h1-3,20,22H,(H,19,21)
InChIKeyOQUIXDNJHKMCFG-UHFFFAOYSA-N
MW387.06 g/mol
LogP2.78
Rot. Bonds3

About 5-chloro-2-[[2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]-N-hydroxybenzeneamine oxide

5-chloro-2-[[2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]-N-hydroxybenzeneamine oxide (PubChem CID 163154723) has the molecular formula C10H6Cl2F6N2O3 and a molecular weight of 387.06 g/mol. Its IUPAC name is 5-chloro-2-[[2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]-N-hydroxybenzeneamine oxide.

Molecular Properties

Compound Name5-chloro-2-[[2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]-N-hydroxybenzeneamine oxide
PubChem CID163154723
Molecular FormulaC10H6Cl2F6N2O3
Molecular Weight387.06 g/mol
Exact Mass385.97
IUPAC Name5-chloro-2-[[2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]-N-hydroxybenzeneamine oxide
SMILESO=C(Nc1ccc(Cl)cc1[NH+]([O-])O)C(Cl)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H6Cl2F6N2O3/c11-4-1-2-5(6(3-4)20(22)23)19-7(21)8(12,9(13,14)15)10(16,17)18/h1-3,20,22H,(H,19,21)
InChIKeyOQUIXDNJHKMCFG-UHFFFAOYSA-N
XLogP2.78
TPSA76.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.06
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamoylamino]-N-hydroxybenzeneamine oxide
CID 163171806
2-acetamido-5-chloro-N-hydroxybenzeneamine oxide
CID 163181848
2-chloro-3,3,3-trifluoro-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide
CID 71672617
1-N,3-N-dihydroxy-4-[[(2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]amino]benzene-1,3-diamine oxide
CID 163163342
N-[4-chloro-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 91725178
N-(2-amino-4-chlorophenyl)-2,2,2-trifluoroacetamide
CID 14399786
N-[4-chloro-2-(trifluoromethyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287302
2-chloro-3,3,3-trifluoro-N-(2-methylphenyl)-2-(trifluoromethyl)propanamide
CID 71672661
2-bromo-N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 163149607
N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2,2-trifluoroacetamide
CID 163133531
2,2-dichloro-N-(2,4-dichlorophenyl)propanamide
CID 521736
N-(5-chloro-2-iodophenyl)-2,2,2-trifluoroacetamide
CID 87693092

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]-N-hydroxybenzeneamine oxide?
The IUPAC name of 5-chloro-2-[[2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]-N-hydroxybenzeneamine oxide (CID 163154723) is 5-chloro-2-[[2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]-N-hydroxybenzeneamine oxide.
What is the SMILES notation for 5-chloro-2-[[2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]-N-hydroxybenzeneamine oxide?
The canonical SMILES for 5-chloro-2-[[2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]-N-hydroxybenzeneamine oxide is O=C(Nc1ccc(Cl)cc1[NH+]([O-])O)C(Cl)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5-chloro-2-[[2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]-N-hydroxybenzeneamine oxide?
The InChIKey is OQUIXDNJHKMCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2F6N2O3/c11-4-1-2-5(6(3-4)20(22)23)19-7(21)8(12,9(13,14)15)10(16,17)18/h1-3,20,22H,(H,19,21).
What are the key properties of 5-chloro-2-[[2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]-N-hydroxybenzeneamine oxide?
5-chloro-2-[[2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]-N-hydroxybenzeneamine oxide has a molecular weight of 387.06 g/mol, XLogP of 2.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]-N-hydroxybenzeneamine oxide is sourced from PubChem (CID 163154723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).