N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2,2-trifluoroacetamide

C8H5ClF3N2O3- — CID 163133531

IUPACN-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(Cl)cc1N([O-])O)C(F)(F)F
InChIInChI=1S/C8H5ClF3N2O3/c9-4-1-2-5(6(3-4)14(16)17)13-7(15)8(10,11)12/h1-3,16H,(H,13,15)/q-1
InChIKeyQWPLVLZXWRGKSI-UHFFFAOYSA-N
MW269.59 g/mol
LogP2.53
Rot. Bonds2

About N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2,2-trifluoroacetamide

N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2,2-trifluoroacetamide (PubChem CID 163133531) has the molecular formula C8H5ClF3N2O3- and a molecular weight of 269.59 g/mol. Its IUPAC name is N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2,2-trifluoroacetamide
PubChem CID163133531
Molecular FormulaC8H5ClF3N2O3-
Molecular Weight269.59 g/mol
Exact Mass268.99
IUPAC NameN-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(Cl)cc1N([O-])O)C(F)(F)F
InChIInChI=1S/C8H5ClF3N2O3/c9-4-1-2-5(6(3-4)14(16)17)13-7(15)8(10,11)12/h1-3,16H,(H,13,15)/q-1
InChIKeyQWPLVLZXWRGKSI-UHFFFAOYSA-N
XLogP2.53
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.59
LogP ≤ 52.53
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

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-bis(trifluoromethyl)butanamide
CID 163183109
N-(2-amino-4-chlorophenyl)-2,2,2-trifluoroacetamide
CID 14399786
N-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-2,2,2-trifluoroacetamide
CID 163147693
N-(5-chloro-2-iodophenyl)-2,2,2-trifluoroacetamide
CID 87693092
N-[4-chloro-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 91725178
N-(5-chloro-4-fluoro-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 2779513
N-[4-chloro-2-(trifluoromethyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287302
N-(2-amino-3,4-difluorophenyl)-2,2,2-trifluoroacetamide
CID 110481225
N-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroacetamide
CID 103646595
N-(3,5-dichloro-2-iodophenyl)-2,2,2-trifluoroacetamide
CID 162537552
N-(4-chloro-2-methylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 166070249

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2,2-trifluoroacetamide (CID 163133531) is N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2,2-trifluoroacetamide is O=C(Nc1ccc(Cl)cc1N([O-])O)C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is QWPLVLZXWRGKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3N2O3/c9-4-1-2-5(6(3-4)14(16)17)13-7(15)8(10,11)12/h1-3,16H,(H,13,15)/q-1.
What are the key properties of N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2,2-trifluoroacetamide?
N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 269.59 g/mol, XLogP of 2.53, 2 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]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 163133531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).