(2S)-2-(2,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]butanamide

C19H20F3NO2 — CID 28570801

IUPAC(2S)-2-(2,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]butanamide
SMILESCC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H20F3NO2/c1-4-16(25-17-11-12(2)9-10-13(17)3)18(24)23-15-8-6-5-7-14(15)19(20,21)22/h5-11,16H,4H2,1-3H3,(H,23,24)/t16-/m0/s1
InChIKeyKSIXIWPTXTUTLH-INIZCTEOSA-N
MW351.37 g/mol
LogP5.12
Rot. Bonds5

About (2S)-2-(2,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]butanamide

(2S)-2-(2,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]butanamide (PubChem CID 28570801) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is (2S)-2-(2,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(2,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]butanamide
PubChem CID28570801
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name(2S)-2-(2,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]butanamide
SMILESCC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H20F3NO2/c1-4-16(25-17-11-12(2)9-10-13(17)3)18(24)23-15-8-6-5-7-14(15)19(20,21)22/h5-11,16H,4H2,1-3H3,(H,23,24)/t16-/m0/s1
InChIKeyKSIXIWPTXTUTLH-INIZCTEOSA-N
XLogP5.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.37
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide
CID 132760463
2-[2-(2,5-dimethylphenoxy)butanoylamino]benzamide
CID 46772808
2-[[(2R)-2-(2,5-dimethylphenoxy)butanoyl]amino]benzamide
CID 94020116
(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide
CID 94020173
(2R)-2-(2,5-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 28635073
2-[[(2S)-2-(2,5-dimethylphenoxy)butanoyl]amino]-N-prop-2-enylbenzamide
CID 94019550
3-[2-(2,5-dimethylphenoxy)butanoylamino]-2-methylbenzamide
CID 53284293
(2R)-2-(2,5-dimethylphenoxy)-N-(3-methylphenyl)butanamide
CID 93488050
ethyl 3-[[(2S)-2-(2,5-dimethylphenoxy)butanoyl]amino]-2-methylbenzoate
CID 92674298
(2R)-2-(2,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide
CID 92646353
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
2-[[(2R)-2-(2,5-dimethylphenoxy)butanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 94012214

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of (2S)-2-(2,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]butanamide (CID 28570801) is (2S)-2-(2,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for (2S)-2-(2,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for (2S)-2-(2,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]butanamide is CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of (2S)-2-(2,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]butanamide?
The InChIKey is KSIXIWPTXTUTLH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20F3NO2/c1-4-16(25-17-11-12(2)9-10-13(17)3)18(24)23-15-8-6-5-7-14(15)19(20,21)22/h5-11,16H,4H2,1-3H3,(H,23,24)/t16-/m0/s1.
What are the key properties of (2S)-2-(2,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]butanamide?
(2S)-2-(2,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]butanamide has a molecular weight of 351.37 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 28570801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).