N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-4-(trifluoromethoxy)benzamide

C22H17F3N2O4 — CID 87444403

IUPACN-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1ccc(C(C(=O)NO)c2ccccc2)cc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C22H17F3N2O4/c23-22(24,25)31-18-12-8-16(9-13-18)20(28)26-17-10-6-15(7-11-17)19(21(29)27-30)14-4-2-1-3-5-14/h1-13,19,30H,(H,26,28)(H,27,29)
InChIKeyWJIZETIGCDBRRO-UHFFFAOYSA-N
MW430.38 g/mol
LogP4.47
Rot. Bonds6

About N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-4-(trifluoromethoxy)benzamide

N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-4-(trifluoromethoxy)benzamide (PubChem CID 87444403) has the molecular formula C22H17F3N2O4 and a molecular weight of 430.38 g/mol. Its IUPAC name is N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-4-(trifluoromethoxy)benzamide
PubChem CID87444403
Molecular FormulaC22H17F3N2O4
Molecular Weight430.38 g/mol
Exact Mass430.11
IUPAC NameN-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1ccc(C(C(=O)NO)c2ccccc2)cc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C22H17F3N2O4/c23-22(24,25)31-18-12-8-16(9-13-18)20(28)26-17-10-6-15(7-11-17)19(21(29)27-30)14-4-2-1-3-5-14/h1-13,19,30H,(H,26,28)(H,27,29)
InChIKeyWJIZETIGCDBRRO-UHFFFAOYSA-N
XLogP4.47
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-phenyldiazenylphenyl)-4-(trifluoromethoxy)benzamide
CID 7927077
N-(4-butan-2-ylphenyl)-4-(trifluoromethoxy)benzamide
CID 3323954
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 107020507
4-(phenoxymethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7957132
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide
CID 26522670
N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide
CID 7925236
N-(3,4-dichlorophenyl)-4-(trifluoromethoxy)benzamide
CID 18267923
(2R)-2-phenyl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 7957205
N-[3-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]benzamide
CID 135320195
N-[(2S)-3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide
CID 8024166

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-4-(trifluoromethoxy)benzamide (CID 87444403) is N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-4-(trifluoromethoxy)benzamide is O=C(Nc1ccc(C(C(=O)NO)c2ccccc2)cc1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is WJIZETIGCDBRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O4/c23-22(24,25)31-18-12-8-16(9-13-18)20(28)26-17-10-6-15(7-11-17)19(21(29)27-30)14-4-2-1-3-5-14/h1-13,19,30H,(H,26,28)(H,27,29).
What are the key properties of N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-4-(trifluoromethoxy)benzamide?
N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 430.38 g/mol, XLogP of 4.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 87444403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).