(2R)-2-(2,3-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide

C19H20F3NO2 — CID 28958403

IUPAC(2R)-2-(2,3-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide
SMILESCC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H20F3NO2/c1-4-16(25-17-7-5-6-12(2)13(17)3)18(24)23-15-10-8-14(9-11-15)19(20,21)22/h5-11,16H,4H2,1-3H3,(H,23,24)/t16-/m1/s1
InChIKeyOYPXZHWNJDOSIL-MRXNPFEDSA-N
MW351.37 g/mol
LogP5.12
Rot. Bonds5

About (2R)-2-(2,3-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide

(2R)-2-(2,3-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide (PubChem CID 28958403) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is (2R)-2-(2,3-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(2,3-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide
PubChem CID28958403
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name(2R)-2-(2,3-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide
SMILESCC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H20F3NO2/c1-4-16(25-17-7-5-6-12(2)13(17)3)18(24)23-15-10-8-14(9-11-15)19(20,21)22/h5-11,16H,4H2,1-3H3,(H,23,24)/t16-/m1/s1
InChIKeyOYPXZHWNJDOSIL-MRXNPFEDSA-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-(4-bromophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 43885352
(2R)-2-(2,3-dimethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 92679319
(2S)-2-(2,3-dimethylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]butanamide
CID 94016332
(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,3-dimethylphenoxy)butanamide
CID 92672729
(2S)-N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 94015885
2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 46770326
N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 43910432
(2S)-N-(3-chloro-4-fluorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 94012112
2-(2,3-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide
CID 133166851
(2R)-N-(2,6-diethylphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 99955131
(2R)-2-(3-methoxyphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide
CID 92681503
(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 28575504

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of (2R)-2-(2,3-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide (CID 28958403) is (2R)-2-(2,3-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for (2R)-2-(2,3-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for (2R)-2-(2,3-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide is CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2R)-2-(2,3-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide?
The InChIKey is OYPXZHWNJDOSIL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20F3NO2/c1-4-16(25-17-7-5-6-12(2)13(17)3)18(24)23-15-10-8-14(9-11-15)19(20,21)22/h5-11,16H,4H2,1-3H3,(H,23,24)/t16-/m1/s1.
What are the key properties of (2R)-2-(2,3-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide?
(2R)-2-(2,3-dimethylphenoxy)-N-[4-(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 (2R)-2-(2,3-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 28958403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).