2-naphthalen-2-yloxy-N-[4-(trifluoromethyl)phenyl]butanamide

C21H18F3NO2 — CID 17071471

IUPAC2-naphthalen-2-yloxy-N-[4-(trifluoromethyl)phenyl]butanamide
SMILESCCC(Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H18F3NO2/c1-2-19(27-18-12-7-14-5-3-4-6-15(14)13-18)20(26)25-17-10-8-16(9-11-17)21(22,23)24/h3-13,19H,2H2,1H3,(H,25,26)
InChIKeyWSLJUZKSGQKHKD-UHFFFAOYSA-N
MW373.37 g/mol
LogP5.65
Rot. Bonds5

About 2-naphthalen-2-yloxy-N-[4-(trifluoromethyl)phenyl]butanamide

2-naphthalen-2-yloxy-N-[4-(trifluoromethyl)phenyl]butanamide (PubChem CID 17071471) has the molecular formula C21H18F3NO2 and a molecular weight of 373.37 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-N-[4-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-N-[4-(trifluoromethyl)phenyl]butanamide
PubChem CID17071471
Molecular FormulaC21H18F3NO2
Molecular Weight373.37 g/mol
Exact Mass373.13
IUPAC Name2-naphthalen-2-yloxy-N-[4-(trifluoromethyl)phenyl]butanamide
SMILESCCC(Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H18F3NO2/c1-2-19(27-18-12-7-14-5-3-4-6-15(14)13-18)20(26)25-17-10-8-16(9-11-17)21(22,23)24/h3-13,19H,2H2,1H3,(H,25,26)
InChIKeyWSLJUZKSGQKHKD-UHFFFAOYSA-N
XLogP5.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.37
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-naphthalen-2-yl-2-naphthalen-2-yloxybutanamide
CID 99942620
N-(4-ethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 43904923
N-(4-ethoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 53284524
(2R)-2-(3-methoxyphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide
CID 92681503
(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide
CID 28565176
(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide
CID 92680808
methyl 4-[[(2R)-2-naphthalen-2-yloxybutanoyl]amino]benzoate
CID 30382427
methyl 4-(2-naphthalen-2-yloxybutanoylamino)benzoate
CID 43904604
(2R)-N-(4-butylphenyl)-2-naphthalen-2-yloxybutanamide
CID 28573574
(2R)-N-naphthalen-2-yl-2-phenoxybutanamide
CID 896831
4-tert-butyl-N-[3-(2-naphthalen-2-yloxybutanoylamino)phenyl]benzamide
CID 46770841
(2S)-2-(3,4-dimethylphenoxy)-N-naphthalen-2-ylbutanamide
CID 28636461

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-N-[4-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 2-naphthalen-2-yloxy-N-[4-(trifluoromethyl)phenyl]butanamide (CID 17071471) is 2-naphthalen-2-yloxy-N-[4-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 2-naphthalen-2-yloxy-N-[4-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 2-naphthalen-2-yloxy-N-[4-(trifluoromethyl)phenyl]butanamide is CCC(Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-naphthalen-2-yloxy-N-[4-(trifluoromethyl)phenyl]butanamide?
The InChIKey is WSLJUZKSGQKHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3NO2/c1-2-19(27-18-12-7-14-5-3-4-6-15(14)13-18)20(26)25-17-10-8-16(9-11-17)21(22,23)24/h3-13,19H,2H2,1H3,(H,25,26).
What are the key properties of 2-naphthalen-2-yloxy-N-[4-(trifluoromethyl)phenyl]butanamide?
2-naphthalen-2-yloxy-N-[4-(trifluoromethyl)phenyl]butanamide has a molecular weight of 373.37 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-N-[4-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 17071471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).