N-[(2-butoxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C19H21F3N2O2 — CID 52760208

IUPACN-[(2-butoxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCCCOc1ncccc1CNC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H21F3N2O2/c1-2-3-11-26-18-15(5-4-10-23-18)13-24-17(25)12-14-6-8-16(9-7-14)19(20,21)22/h4-10H,2-3,11-13H2,1H3,(H,24,25)
InChIKeyDLKYTHUKXMXDJE-UHFFFAOYSA-N
MW366.38 g/mol
LogP4.14
Rot. Bonds8

About N-[(2-butoxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[(2-butoxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 52760208) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[(2-butoxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(2-butoxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID52760208
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC NameN-[(2-butoxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCCCOc1ncccc1CNC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H21F3N2O2/c1-2-3-11-26-18-15(5-4-10-23-18)13-24-17(25)12-14-6-8-16(9-7-14)19(20,21)22/h4-10H,2-3,11-13H2,1H3,(H,24,25)
InChIKeyDLKYTHUKXMXDJE-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
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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Related Compounds

1-[(2-ethoxy-3-pyridinyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 134006403
2-(4-butylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37485449
N-[(2-butoxy-3-pyridinyl)methyl]-2-chloro-2-fluoroacetamide;2,2,2-trifluoroacetic acid
CID 166427986
(2R)-N-[(2-butoxy-3-pyridinyl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 126829299
N-[(2-butoxy-3-pyridinyl)methyl]but-2-enamide
CID 126809112
2-(3-bromophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide
CID 60616135
3-(4-tert-butylphenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide
CID 37487440
N-[[2-(ethoxymethyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55596990
N',N'-dipropyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pentanediamide
CID 56540548
N-[(2-ethoxy-3-pyridinyl)methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 134004654
N-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272108
1-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111420892

Frequently Asked Questions

What is the IUPAC name of N-[(2-butoxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(2-butoxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 52760208) is N-[(2-butoxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(2-butoxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(2-butoxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide is CCCCOc1ncccc1CNC(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(2-butoxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is DLKYTHUKXMXDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c1-2-3-11-26-18-15(5-4-10-23-18)13-24-17(25)12-14-6-8-16(9-7-14)19(20,21)22/h4-10H,2-3,11-13H2,1H3,(H,24,25).
What are the key properties of N-[(2-butoxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[(2-butoxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 366.38 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butoxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 52760208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).