2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]butanamide

C19H20F3NO2 — CID 85462760

IUPAC2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]butanamide
SMILESCCC(C(=O)NCCOc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C19H20F3NO2/c1-2-17(14-7-4-3-5-8-14)18(24)23-11-12-25-16-10-6-9-15(13-16)19(20,21)22/h3-10,13,17H,2,11-12H2,1H3,(H,23,24)
InChIKeyLBBJOATYRLRNSC-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.39
Rot. Bonds7

About 2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]butanamide

2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]butanamide (PubChem CID 85462760) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]butanamide.

Molecular Properties

Compound Name2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]butanamide
PubChem CID85462760
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]butanamide
SMILESCCC(C(=O)NCCOc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C19H20F3NO2/c1-2-17(14-7-4-3-5-8-14)18(24)23-11-12-25-16-10-6-9-15(13-16)19(20,21)22/h3-10,13,17H,2,11-12H2,1H3,(H,23,24)
InChIKeyLBBJOATYRLRNSC-UHFFFAOYSA-N
XLogP4.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-methyl-3-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 119736709
2-amino-3-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]pentanamide
CID 119736730
(2R)-2-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 119296655
(2S)-2-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 119296638
(2S)-2-amino-3,3-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]butanamide
CID 119736716
2-amino-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 120589464
2-amino-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 120589463
4-ethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30350028
4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30349954
2-[methyl-[2-oxo-2-[2-[3-(trifluoromethyl)phenoxy]ethylamino]ethyl]amino]propanoic acid
CID 119912627
1-(3-hydroxypropyl)-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]urea
CID 110894379
3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30350054

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]butanamide?
The IUPAC name of 2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]butanamide (CID 85462760) is 2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]butanamide.
What is the SMILES notation for 2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]butanamide?
The canonical SMILES for 2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]butanamide is CCC(C(=O)NCCOc1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]butanamide?
The InChIKey is LBBJOATYRLRNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2/c1-2-17(14-7-4-3-5-8-14)18(24)23-11-12-25-16-10-6-9-15(13-16)19(20,21)22/h3-10,13,17H,2,11-12H2,1H3,(H,23,24).
What are the key properties of 2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]butanamide?
2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]butanamide has a molecular weight of 351.37 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]butanamide is sourced from PubChem (CID 85462760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).