2-phenoxy-N-[2-(trifluoromethoxy)phenyl]butanamide

C17H16F3NO3 — CID 42922033

IUPAC2-phenoxy-N-[2-(trifluoromethoxy)phenyl]butanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C17H16F3NO3/c1-2-14(23-12-8-4-3-5-9-12)16(22)21-13-10-6-7-11-15(13)24-17(18,19)20/h3-11,14H,2H2,1H3,(H,21,22)
InChIKeyRDQZOQFRZMQKAM-UHFFFAOYSA-N
MW339.31 g/mol
LogP4.38
Rot. Bonds6

About 2-phenoxy-N-[2-(trifluoromethoxy)phenyl]butanamide

2-phenoxy-N-[2-(trifluoromethoxy)phenyl]butanamide (PubChem CID 42922033) has the molecular formula C17H16F3NO3 and a molecular weight of 339.31 g/mol. Its IUPAC name is 2-phenoxy-N-[2-(trifluoromethoxy)phenyl]butanamide.

Molecular Properties

Compound Name2-phenoxy-N-[2-(trifluoromethoxy)phenyl]butanamide
PubChem CID42922033
Molecular FormulaC17H16F3NO3
Molecular Weight339.31 g/mol
Exact Mass339.11
IUPAC Name2-phenoxy-N-[2-(trifluoromethoxy)phenyl]butanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C17H16F3NO3/c1-2-14(23-12-8-4-3-5-9-12)16(22)21-13-10-6-7-11-15(13)24-17(18,19)20/h3-11,14H,2H2,1H3,(H,21,22)
InChIKeyRDQZOQFRZMQKAM-UHFFFAOYSA-N
XLogP4.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-fluorophenyl)-2-phenoxybutanamide
CID 966418
2-(4-methoxyphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 21173380
(2S)-2-amino-N-[2-(trifluoromethoxy)phenyl]butanamide;hydrochloride
CID 119275178
2-phenoxy-N-[2-(3-phenylpropoxy)phenyl]butanamide
CID 17131447
(2R)-N-naphthalen-1-yl-2-phenoxybutanamide
CID 904123
(2R)-2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)butanamide
CID 94027055
(2R)-2-(3-methylphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 28573798
(2R)-N-(2,3-dimethylphenyl)-2-phenoxybutanamide
CID 871108
N-(2-ethylsulfanylphenyl)-2-phenoxybutanamide
CID 132650621
2-[[(2S)-2-phenoxybutanoyl]amino]benzamide
CID 898266
2-(4-ethylphenoxy)-N-(2-methoxyphenyl)butanamide
CID 53288679
1-(1-phenylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea
CID 4598212

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[2-(trifluoromethoxy)phenyl]butanamide?
The IUPAC name of 2-phenoxy-N-[2-(trifluoromethoxy)phenyl]butanamide (CID 42922033) is 2-phenoxy-N-[2-(trifluoromethoxy)phenyl]butanamide.
What is the SMILES notation for 2-phenoxy-N-[2-(trifluoromethoxy)phenyl]butanamide?
The canonical SMILES for 2-phenoxy-N-[2-(trifluoromethoxy)phenyl]butanamide is CCC(Oc1ccccc1)C(=O)Nc1ccccc1OC(F)(F)F.
What is the InChIKey of 2-phenoxy-N-[2-(trifluoromethoxy)phenyl]butanamide?
The InChIKey is RDQZOQFRZMQKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3/c1-2-14(23-12-8-4-3-5-9-12)16(22)21-13-10-6-7-11-15(13)24-17(18,19)20/h3-11,14H,2H2,1H3,(H,21,22).
What are the key properties of 2-phenoxy-N-[2-(trifluoromethoxy)phenyl]butanamide?
2-phenoxy-N-[2-(trifluoromethoxy)phenyl]butanamide has a molecular weight of 339.31 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[2-(trifluoromethoxy)phenyl]butanamide is sourced from PubChem (CID 42922033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).