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

C17H16F3NO4 — CID 142629544

IUPACN-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(NCCCOc1cccc(O)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO4/c18-17(19,20)25-14-7-5-12(6-8-14)16(23)21-9-2-10-24-15-4-1-3-13(22)11-15/h1,3-8,11,22H,2,9-10H2,(H,21,23)
InChIKeyCQDSZPWSCKXOKB-UHFFFAOYSA-N
MW355.31 g/mol
LogP3.49
Rot. Bonds7

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

N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethoxy)benzamide (PubChem CID 142629544) has the molecular formula C17H16F3NO4 and a molecular weight of 355.31 g/mol. Its IUPAC name is N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethoxy)benzamide
PubChem CID142629544
Molecular FormulaC17H16F3NO4
Molecular Weight355.31 g/mol
Exact Mass355.10
IUPAC NameN-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(NCCCOc1cccc(O)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO4/c18-17(19,20)25-14-7-5-12(6-8-14)16(23)21-9-2-10-24-15-4-1-3-13(22)11-15/h1,3-8,11,22H,2,9-10H2,(H,21,23)
InChIKeyCQDSZPWSCKXOKB-UHFFFAOYSA-N
XLogP3.49
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(trifluoromethyl)benzamide
CID 142629548
N-[3-(3-chloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethoxy)benzamide
CID 174391022
N-(5-iodopentyl)-4-(trifluoromethoxy)benzamide
CID 107322364
N-[7-[(4-bromobenzoyl)amino]heptyl]-4-(trifluoromethoxy)benzamide
CID 54468916
1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide
CID 166196673
N-[2-(2-methoxyphenoxy)ethyl]-4-(trifluoromethoxy)benzamide
CID 27823943
N-[2-(3-aminophenoxy)ethyl]-4-hydroxybenzamide
CID 61031492
N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 27859219
4-ethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30350028
4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30349954
N-(3-phenoxypropyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55484171
3-[2-(methylamino)ethoxy]phenol
CID 83619980

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethoxy)benzamide (CID 142629544) is N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethoxy)benzamide is O=C(NCCCOc1cccc(O)c1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is CQDSZPWSCKXOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO4/c18-17(19,20)25-14-7-5-12(6-8-14)16(23)21-9-2-10-24-15-4-1-3-13(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-(trifluoromethoxy)benzamide?
N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 355.31 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 142629544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).