N-[6-(hydroxyamino)-6-oxohexoxy]-4-(trifluoromethyl)benzamide

C14H17F3N2O4 — CID 71520629

IUPACN-[6-(hydroxyamino)-6-oxohexoxy]-4-(trifluoromethyl)benzamide
SMILESO=C(CCCCCONC(=O)c1ccc(C(F)(F)F)cc1)NO
InChIInChI=1S/C14H17F3N2O4/c15-14(16,17)11-7-5-10(6-8-11)13(21)19-23-9-3-1-2-4-12(20)18-22/h5-8,22H,1-4,9H2,(H,18,20)(H,19,21)
InChIKeyARCXYEXWOYVSTQ-UHFFFAOYSA-N
MW334.29 g/mol
LogP2.43
Rot. Bonds8

About N-[6-(hydroxyamino)-6-oxohexoxy]-4-(trifluoromethyl)benzamide

N-[6-(hydroxyamino)-6-oxohexoxy]-4-(trifluoromethyl)benzamide (PubChem CID 71520629) has the molecular formula C14H17F3N2O4 and a molecular weight of 334.29 g/mol. Its IUPAC name is N-[6-(hydroxyamino)-6-oxohexoxy]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-(hydroxyamino)-6-oxohexoxy]-4-(trifluoromethyl)benzamide
PubChem CID71520629
Molecular FormulaC14H17F3N2O4
Molecular Weight334.29 g/mol
Exact Mass334.11
IUPAC NameN-[6-(hydroxyamino)-6-oxohexoxy]-4-(trifluoromethyl)benzamide
SMILESO=C(CCCCCONC(=O)c1ccc(C(F)(F)F)cc1)NO
InChIInChI=1S/C14H17F3N2O4/c15-14(16,17)11-7-5-10(6-8-11)13(21)19-23-9-3-1-2-4-12(20)18-22/h5-8,22H,1-4,9H2,(H,18,20)(H,19,21)
InChIKeyARCXYEXWOYVSTQ-UHFFFAOYSA-N
XLogP2.43
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 5353484
CID 5353484
CID 71520717
CID 71520717
CID 426839
CID 426839
CID 74684
CID 74684
CID 88356
CID 88356
CID 11001628
CID 11001628
CID 24705374
CID 24705374
CID 63992786
CID 63992786
CID 71520631
CID 71520631
CID 71520716
CID 71520716
CID 88345263
CID 88345263
CID 589461
CID 589461

Frequently Asked Questions

What is the IUPAC name of N-[6-(hydroxyamino)-6-oxohexoxy]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-(hydroxyamino)-6-oxohexoxy]-4-(trifluoromethyl)benzamide (CID 71520629) is N-[6-(hydroxyamino)-6-oxohexoxy]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-(hydroxyamino)-6-oxohexoxy]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-(hydroxyamino)-6-oxohexoxy]-4-(trifluoromethyl)benzamide is O=C(CCCCCONC(=O)c1ccc(C(F)(F)F)cc1)NO.
What is the InChIKey of N-[6-(hydroxyamino)-6-oxohexoxy]-4-(trifluoromethyl)benzamide?
The InChIKey is ARCXYEXWOYVSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O4/c15-14(16,17)11-7-5-10(6-8-11)13(21)19-23-9-3-1-2-4-12(20)18-22/h5-8,22H,1-4,9H2,(H,18,20)(H,19,21).
What are the key properties of N-[6-(hydroxyamino)-6-oxohexoxy]-4-(trifluoromethyl)benzamide?
N-[6-(hydroxyamino)-6-oxohexoxy]-4-(trifluoromethyl)benzamide has a molecular weight of 334.29 g/mol, XLogP of 2.43, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(hydroxyamino)-6-oxohexoxy]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 71520629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).