N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide

C17H14Cl2F3NO3 — CID 23218369

IUPACN-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCCCOc1c(Cl)cc(O)cc1Cl)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14Cl2F3NO3/c18-13-8-12(24)9-14(19)15(13)26-7-1-6-23-16(25)10-2-4-11(5-3-10)17(20,21)22/h2-5,8-9,24H,1,6-7H2,(H,23,25)
InChIKeyIMTZHCMFJSOOJQ-UHFFFAOYSA-N
MW408.20 g/mol
LogP4.92
Rot. Bonds6

About N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide

N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide (PubChem CID 23218369) has the molecular formula C17H14Cl2F3NO3 and a molecular weight of 408.20 g/mol. Its IUPAC name is N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide
PubChem CID23218369
Molecular FormulaC17H14Cl2F3NO3
Molecular Weight408.20 g/mol
Exact Mass407.03
IUPAC NameN-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCCCOc1c(Cl)cc(O)cc1Cl)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14Cl2F3NO3/c18-13-8-12(24)9-14(19)15(13)26-7-1-6-23-16(25)10-2-4-11(5-3-10)17(20,21)22/h2-5,8-9,24H,1,6-7H2,(H,23,25)
InChIKeyIMTZHCMFJSOOJQ-UHFFFAOYSA-N
XLogP4.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.20
LogP ≤ 54.92
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-(2,6-dichloro-4-hydroxyphenoxy)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 22006727
N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]thiophene-3-carboxamide
CID 22006893
N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide
CID 142629548
N-[3-(2-chloro-4-hydroxy-6-methylphenoxy)propyl]benzamide
CID 22006815
N-[4-[2-chloro-4-(3,3-dichloroprop-2-enoxy)-6-fluorophenoxy]butyl]-4-(trifluoromethyl)benzamide
CID 19356543
N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 113102845
3,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 34496972
N-[3-(3-chloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethoxy)benzamide
CID 174391022
3,5-dichloro-4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexoxy]phenol
CID 18504619
3,5-dichloro-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]butoxy]phenol
CID 70269952
N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 108537709
2,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 34496955

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide (CID 23218369) is N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide is O=C(NCCCOc1c(Cl)cc(O)cc1Cl)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide?
The InChIKey is IMTZHCMFJSOOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2F3NO3/c18-13-8-12(24)9-14(19)15(13)26-7-1-6-23-16(25)10-2-4-11(5-3-10)17(20,21)22/h2-5,8-9,24H,1,6-7H2,(H,23,25).
What are the key properties of N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide?
N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide has a molecular weight of 408.20 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 23218369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).