N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide

C17H16F3NO3 — CID 142629548

IUPACN-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCCCOc1cccc(O)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO3/c18-17(19,20)13-7-5-12(6-8-13)16(23)21-9-2-10-24-15-4-1-3-14(22)11-15/h1,3-8,11,22H,2,9-10H2,(H,21,23)
InChIKeyYFQBJLREIDPPDN-UHFFFAOYSA-N
MW339.31 g/mol
LogP3.61
Rot. Bonds6

About N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide

N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide (PubChem CID 142629548) has the molecular formula C17H16F3NO3 and a molecular weight of 339.31 g/mol. Its IUPAC name is N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide
PubChem CID142629548
Molecular FormulaC17H16F3NO3
Molecular Weight339.31 g/mol
Exact Mass339.11
IUPAC NameN-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCCCOc1cccc(O)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO3/c18-17(19,20)13-7-5-12(6-8-13)16(23)21-9-2-10-24-15-4-1-3-14(22)11-15/h1,3-8,11,22H,2,9-10H2,(H,21,23)
InChIKeyYFQBJLREIDPPDN-UHFFFAOYSA-N
XLogP3.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethoxy)benzamide
CID 142629544
N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 27859219
4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30349954
N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide
CID 23218369
4-ethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30350028
1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide
CID 166196673
N-[2-(4-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 8960957
3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30350054
N-(3-phenoxypropyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55484171
4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30865966
N-[2-(3-aminophenoxy)ethyl]-4-hydroxybenzamide
CID 61031492
2-(3-methylphenoxy)ethyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880382

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide (CID 142629548) is N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide is O=C(NCCCOc1cccc(O)c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide?
The InChIKey is YFQBJLREIDPPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3/c18-17(19,20)13-7-5-12(6-8-13)16(23)21-9-2-10-24-15-4-1-3-14(22)11-15/h1,3-8,11,22H,2,9-10H2,(H,21,23).
What are the key properties of N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide?
N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide has a molecular weight of 339.31 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 142629548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).