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

C19H19ClF3NO2 — CID 94020173

IUPAC(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide
SMILESCC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C19H19ClF3NO2/c1-4-16(26-17-9-11(2)5-6-12(17)3)18(25)24-15-10-13(19(21,22)23)7-8-14(15)20/h5-10,16H,4H2,1-3H3,(H,24,25)/t16-/m1/s1
InChIKeyDSPLKWIXHVEZKP-MRXNPFEDSA-N
MW385.81 g/mol
LogP5.77
Rot. Bonds5

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

(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide (PubChem CID 94020173) has the molecular formula C19H19ClF3NO2 and a molecular weight of 385.81 g/mol. Its IUPAC name is (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide
PubChem CID94020173
Molecular FormulaC19H19ClF3NO2
Molecular Weight385.81 g/mol
Exact Mass385.11
IUPAC Name(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide
SMILESCC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C19H19ClF3NO2/c1-4-16(26-17-9-11(2)5-6-12(17)3)18(25)24-15-10-13(19(21,22)23)7-8-14(15)20/h5-10,16H,4H2,1-3H3,(H,24,25)/t16-/m1/s1
InChIKeyDSPLKWIXHVEZKP-MRXNPFEDSA-N
XLogP5.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.81
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-chlorophenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide
CID 94011805
N-(2-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide
CID 132760463
methyl 4-chloro-3-[[(2S)-2-(2,5-dimethylphenoxy)butanoyl]amino]benzoate
CID 99959839
(2S)-2-(2,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 28570801
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenoxy)butanamide
CID 46772392
(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide
CID 28565176
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(4-methylphenyl)-4-oxochromen-3-yl]oxybutanamide
CID 46303067
(2R)-2-(2,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide
CID 92646353
(2R)-2-(2,5-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 28635073
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2,5-dimethylphenoxy)butanamide
CID 92673580
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 1019991
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133160336

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide?
The IUPAC name of (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide (CID 94020173) is (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide.
What is the SMILES notation for (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide?
The canonical SMILES for (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide is CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide?
The InChIKey is DSPLKWIXHVEZKP-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19ClF3NO2/c1-4-16(26-17-9-11(2)5-6-12(17)3)18(25)24-15-10-13(19(21,22)23)7-8-14(15)20/h5-10,16H,4H2,1-3H3,(H,24,25)/t16-/m1/s1.
What are the key properties of (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide?
(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide has a molecular weight of 385.81 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide is sourced from PubChem (CID 94020173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).