N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2-bis(trifluoromethyl)butanamide

C12H10ClF6N2O3- — CID 163183109

IUPACN-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2-bis(trifluoromethyl)butanamide
SMILESCCC(C(=O)Nc1ccc(Cl)cc1N([O-])O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H10ClF6N2O3/c1-2-10(11(14,15)16,12(17,18)19)9(22)20-7-4-3-6(13)5-8(7)21(23)24/h3-5,23H,2H2,1H3,(H,20,22)/q-1
InChIKeyDHTMCLLOTYUAQC-UHFFFAOYSA-N
MW379.66 g/mol
LogP4.49
Rot. Bonds4

About N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2-bis(trifluoromethyl)butanamide

N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2-bis(trifluoromethyl)butanamide (PubChem CID 163183109) has the molecular formula C12H10ClF6N2O3- and a molecular weight of 379.66 g/mol. Its IUPAC name is N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2-bis(trifluoromethyl)butanamide.

Molecular Properties

Compound NameN-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2-bis(trifluoromethyl)butanamide
PubChem CID163183109
Molecular FormulaC12H10ClF6N2O3-
Molecular Weight379.66 g/mol
Exact Mass379.03
IUPAC NameN-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2-bis(trifluoromethyl)butanamide
SMILESCCC(C(=O)Nc1ccc(Cl)cc1N([O-])O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H10ClF6N2O3/c1-2-10(11(14,15)16,12(17,18)19)9(22)20-7-4-3-6(13)5-8(7)21(23)24/h3-5,23H,2H2,1H3,(H,20,22)/q-1
InChIKeyDHTMCLLOTYUAQC-UHFFFAOYSA-N
XLogP4.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.66
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2,2-trifluoroacetamide
CID 163133531
2-bromo-N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 163149607
N-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide
CID 163154528
N-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-2,2,2-trifluoroacetamide
CID 163147693
N-[4-chloro-2-(trifluoromethyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287302
2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylbutanamide
CID 79796494
N-(2-chloro-4-propylsulfonylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287187
N-[4-chloro-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 91725178
N-(2,5-dichlorophenyl)-2,2-dimethylbutanamide
CID 4629651
N-(2-amino-4-chlorophenyl)-2,2,2-trifluoroacetamide
CID 14399786
1-(5-chloro-2-fluorophenyl)-3-[3-(hydroxymethyl)pentan-3-yl]urea
CID 111925894
(2R)-N-[2-chloro-4-[ethyl(phenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 20610347

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2-bis(trifluoromethyl)butanamide?
The IUPAC name of N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2-bis(trifluoromethyl)butanamide (CID 163183109) is N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2-bis(trifluoromethyl)butanamide.
What is the SMILES notation for N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2-bis(trifluoromethyl)butanamide?
The canonical SMILES for N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2-bis(trifluoromethyl)butanamide is CCC(C(=O)Nc1ccc(Cl)cc1N([O-])O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2-bis(trifluoromethyl)butanamide?
The InChIKey is DHTMCLLOTYUAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF6N2O3/c1-2-10(11(14,15)16,12(17,18)19)9(22)20-7-4-3-6(13)5-8(7)21(23)24/h3-5,23H,2H2,1H3,(H,20,22)/q-1.
What are the key properties of N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2-bis(trifluoromethyl)butanamide?
N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2-bis(trifluoromethyl)butanamide has a molecular weight of 379.66 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2-bis(trifluoromethyl)butanamide is sourced from PubChem (CID 163183109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).