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

C17H15ClF3NO4 — CID 174391022

IUPACN-[3-(3-chloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(NCCCOc1ccc(O)c(Cl)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H15ClF3NO4/c18-14-10-13(6-7-15(14)23)25-9-1-8-22-16(24)11-2-4-12(5-3-11)26-17(19,20)21/h2-7,10,23H,1,8-9H2,(H,22,24)
InChIKeyOVROQERDIOCUSL-UHFFFAOYSA-N
MW389.76 g/mol
LogP4.14
Rot. Bonds7

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

N-[3-(3-chloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethoxy)benzamide (PubChem CID 174391022) has the molecular formula C17H15ClF3NO4 and a molecular weight of 389.76 g/mol. Its IUPAC name is N-[3-(3-chloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(3-chloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethoxy)benzamide
PubChem CID174391022
Molecular FormulaC17H15ClF3NO4
Molecular Weight389.76 g/mol
Exact Mass389.06
IUPAC NameN-[3-(3-chloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(NCCCOc1ccc(O)c(Cl)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H15ClF3NO4/c18-14-10-13(6-7-15(14)23)25-9-1-8-22-16(24)11-2-4-12(5-3-11)26-17(19,20)21/h2-7,10,23H,1,8-9H2,(H,22,24)
InChIKeyOVROQERDIOCUSL-UHFFFAOYSA-N
XLogP4.14
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.76
LogP ≤ 54.14
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-chloro-4-hydroxyphenoxy)propyl]benzamide
CID 174392041
N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethoxy)benzamide
CID 142629544
N-[4-(3-chloro-4-hydroxyphenoxy)butyl]benzamide
CID 151448271
N-[3-(3-chloro-4-hydroxyphenoxy)propyl]furan-2-carboxamide
CID 174406685
N-(5-iodopentyl)-4-(trifluoromethoxy)benzamide
CID 107322364
N-[7-[(4-bromobenzoyl)amino]heptyl]-4-(trifluoromethoxy)benzamide
CID 54468916
3-chloro-N-(3-chloropropyl)-4-hydroxybenzamide
CID 114293588
3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 18115620
N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide
CID 142629548
N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide
CID 23218369
N-[3-(3-chloro-4-hydroxyphenoxy)propyl]quinoline-2-carboxamide
CID 174438145
N-[2-(2-methoxyphenoxy)ethyl]-4-(trifluoromethoxy)benzamide
CID 27823943

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[3-(3-chloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethoxy)benzamide (CID 174391022) is N-[3-(3-chloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[3-(3-chloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[3-(3-chloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethoxy)benzamide is O=C(NCCCOc1ccc(O)c(Cl)c1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[3-(3-chloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is OVROQERDIOCUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO4/c18-14-10-13(6-7-15(14)23)25-9-1-8-22-16(24)11-2-4-12(5-3-11)26-17(19,20)21/h2-7,10,23H,1,8-9H2,(H,22,24).
What are the key properties of N-[3-(3-chloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethoxy)benzamide?
N-[3-(3-chloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 389.76 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 174391022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).