N-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide

C11H9F6N3O5-2 — CID 163154528

IUPACN-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide
SMILESCC(C(=O)Nc1ccc(N([O-])[O-])cc1N(O)O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H9F6N3O5/c1-9(10(12,13)14,11(15,16)17)8(21)18-6-3-2-5(19(22)23)4-7(6)20(24)25/h2-4,24-25H,1H3,(H,18,21)/q-2
InChIKeyZZELYTTWJXIIFG-UHFFFAOYSA-N
MW377.20 g/mol
LogP3.14
Rot. Bonds4

About N-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide

N-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide (PubChem CID 163154528) has the molecular formula C11H9F6N3O5-2 and a molecular weight of 377.20 g/mol. Its IUPAC name is N-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide
PubChem CID163154528
Molecular FormulaC11H9F6N3O5-2
Molecular Weight377.20 g/mol
Exact Mass377.05
IUPAC NameN-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide
SMILESCC(C(=O)Nc1ccc(N([O-])[O-])cc1N(O)O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H9F6N3O5/c1-9(10(12,13)14,11(15,16)17)8(21)18-6-3-2-5(19(22)23)4-7(6)20(24)25/h2-4,24-25H,1H3,(H,18,21)/q-2
InChIKeyZZELYTTWJXIIFG-UHFFFAOYSA-N
XLogP3.14
TPSA122.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.20
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-2,2,2-trifluoroacetamide
CID 163147693
N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2-bis(trifluoromethyl)butanamide
CID 163183109
N-[2-(dihydroxyamino)-4-(dioxidoamino)anilino]-N'-(2-oxopropyl)ethanimidamide
CID 21157423
2-N,2-N-dihydroxy-1-N-(2-methylprop-2-enylideneamino)-4-N,4-N-dioxidobenzene-1,2,4-triamine
CID 163172164
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
3,3,3-trifluoro-2-methyl-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide
CID 71672117
2-N,2-N-dihydroxy-4-N,4-N-dioxido-1-N-[(2-prop-1-enylphenyl)methylideneamino]benzene-1,2,4-triamine
CID 163138273
N-(2-chloro-4-propylsulfonylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287187
2-N,2-N-dihydroxy-1-N-[(E)-(8-methyl-2,3,6,7-tetrahydro-1H-azulen-5-ylidene)amino]-4-N,4-N-dioxidobenzene-1,2,4-triamine
CID 20831252
(2R)-N-[4-[(4-aminophenyl)-(2-hydroxyethyl)sulfamoyl]-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 20610346
N-(4-bromo-2-methylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287259

Frequently Asked Questions

What is the IUPAC name of N-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide?
The IUPAC name of N-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide (CID 163154528) is N-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide is CC(C(=O)Nc1ccc(N([O-])[O-])cc1N(O)O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide?
The InChIKey is ZZELYTTWJXIIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F6N3O5/c1-9(10(12,13)14,11(15,16)17)8(21)18-6-3-2-5(19(22)23)4-7(6)20(24)25/h2-4,24-25H,1H3,(H,18,21)/q-2.
What are the key properties of N-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide?
N-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide has a molecular weight of 377.20 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 163154528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).