6-(3-methylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide

C19H21F3N2O2 — CID 118730958

IUPAC6-(3-methylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide
SMILESCc1cccc(OCCCCCC(=O)Nc2ccnc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H21F3N2O2/c1-14-6-5-7-16(12-14)26-11-4-2-3-8-18(25)24-15-9-10-23-17(13-15)19(20,21)22/h5-7,9-10,12-13H,2-4,8,11H2,1H3,(H,23,24,25)
InChIKeyFBZCQKBBCUKSML-UHFFFAOYSA-N
MW366.38 g/mol
LogP4.99
Rot. Bonds8

About 6-(3-methylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide

6-(3-methylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide (PubChem CID 118730958) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is 6-(3-methylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide.

Molecular Properties

Compound Name6-(3-methylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide
PubChem CID118730958
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC Name6-(3-methylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide
SMILESCc1cccc(OCCCCCC(=O)Nc2ccnc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H21F3N2O2/c1-14-6-5-7-16(12-14)26-11-4-2-3-8-18(25)24-15-9-10-23-17(13-15)19(20,21)22/h5-7,9-10,12-13H,2-4,8,11H2,1H3,(H,23,24,25)
InChIKeyFBZCQKBBCUKSML-UHFFFAOYSA-N
XLogP4.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide?
The IUPAC name of 6-(3-methylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide (CID 118730958) is 6-(3-methylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide.
What is the SMILES notation for 6-(3-methylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide?
The canonical SMILES for 6-(3-methylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide is Cc1cccc(OCCCCCC(=O)Nc2ccnc(C(F)(F)F)c2)c1.
What is the InChIKey of 6-(3-methylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide?
The InChIKey is FBZCQKBBCUKSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c1-14-6-5-7-16(12-14)26-11-4-2-3-8-18(25)24-15-9-10-23-17(13-15)19(20,21)22/h5-7,9-10,12-13H,2-4,8,11H2,1H3,(H,23,24,25).
What are the key properties of 6-(3-methylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide?
6-(3-methylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide has a molecular weight of 366.38 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide is sourced from PubChem (CID 118730958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).