N-hydroxy-4-(11,11,11-trifluoroundecoxy)benzamide

C18H26F3NO3 — CID 162621629

IUPACN-hydroxy-4-(11,11,11-trifluoroundecoxy)benzamide
SMILESO=C(NO)c1ccc(OCCCCCCCCCCC(F)(F)F)cc1
InChIInChI=1S/C18H26F3NO3/c19-18(20,21)13-7-5-3-1-2-4-6-8-14-25-16-11-9-15(10-12-16)17(23)22-24/h9-12,24H,1-8,13-14H2,(H,22,23)
InChIKeyBXURBCRMNYZUNO-UHFFFAOYSA-N
MW361.40 g/mol
LogP5.26
Rot. Bonds12

About N-hydroxy-4-(11,11,11-trifluoroundecoxy)benzamide

N-hydroxy-4-(11,11,11-trifluoroundecoxy)benzamide (PubChem CID 162621629) has the molecular formula C18H26F3NO3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-hydroxy-4-(11,11,11-trifluoroundecoxy)benzamide.

Molecular Properties

Compound NameN-hydroxy-4-(11,11,11-trifluoroundecoxy)benzamide
PubChem CID162621629
Molecular FormulaC18H26F3NO3
Molecular Weight361.40 g/mol
Exact Mass361.19
IUPAC NameN-hydroxy-4-(11,11,11-trifluoroundecoxy)benzamide
SMILESO=C(NO)c1ccc(OCCCCCCCCCCC(F)(F)F)cc1
InChIInChI=1S/C18H26F3NO3/c19-18(20,21)13-7-5-3-1-2-4-6-8-14-25-16-11-9-15(10-12-16)17(23)22-24/h9-12,24H,1-8,13-14H2,(H,22,23)
InChIKeyBXURBCRMNYZUNO-UHFFFAOYSA-N
XLogP5.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.40
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-(4,4,4-trifluorobutoxy)benzamide
CID 169016567
4-(4,4,4-trifluorobutoxy)benzenecarboperoxoic acid
CID 146939193
N-hydroxy-4-[2-(methylamino)ethoxy]benzamide
CID 87613285
4-[2-(4,4,4-trifluorobutoxy)ethoxy]benzoic acid
CID 82788697
(3S)-3-amino-4,4,4-trifluoro-1-(4-methylphenyl)-3-[4-(6,6,6-trifluorohexoxy)phenyl]butan-1-one
CID 86685860
1-iodo-4-(5,5,5-trifluoropentoxy)benzene
CID 102202371
4-butoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78786044
1-(4-butoxyphenyl)-5,5,5-trifluoropentan-1-one
CID 105123323
1-(4-butoxyphenyl)-4,4,4-trifluorobutan-1-one
CID 105106823
(E)-3-(4-tert-butylphenyl)-1-[4-(4,4,4-trifluorobutoxy)phenyl]prop-2-en-1-one
CID 129017227
4-[6-(4-hydroxyphenoxy)hexoxy]benzoic acid
CID 71331211
[4-(3-hexoxy-3-oxoprop-1-enyl)phenyl] 4-(5,5,5-trifluoropentoxy)benzoate
CID 91482458

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-(11,11,11-trifluoroundecoxy)benzamide?
The IUPAC name of N-hydroxy-4-(11,11,11-trifluoroundecoxy)benzamide (CID 162621629) is N-hydroxy-4-(11,11,11-trifluoroundecoxy)benzamide.
What is the SMILES notation for N-hydroxy-4-(11,11,11-trifluoroundecoxy)benzamide?
The canonical SMILES for N-hydroxy-4-(11,11,11-trifluoroundecoxy)benzamide is O=C(NO)c1ccc(OCCCCCCCCCCC(F)(F)F)cc1.
What is the InChIKey of N-hydroxy-4-(11,11,11-trifluoroundecoxy)benzamide?
The InChIKey is BXURBCRMNYZUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3NO3/c19-18(20,21)13-7-5-3-1-2-4-6-8-14-25-16-11-9-15(10-12-16)17(23)22-24/h9-12,24H,1-8,13-14H2,(H,22,23).
What are the key properties of N-hydroxy-4-(11,11,11-trifluoroundecoxy)benzamide?
N-hydroxy-4-(11,11,11-trifluoroundecoxy)benzamide has a molecular weight of 361.40 g/mol, XLogP of 5.26, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(11,11,11-trifluoroundecoxy)benzamide is sourced from PubChem (CID 162621629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).