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

C18H18F3NO2 — CID 40769007

IUPAC(2R)-2-(2,4-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCc1ccc(O[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c(C)c1
InChIInChI=1S/C18H18F3NO2/c1-11-4-9-16(12(2)10-11)24-13(3)17(23)22-15-7-5-14(6-8-15)18(19,20)21/h4-10,13H,1-3H3,(H,22,23)/t13-/m1/s1
InChIKeyKQIOKYFAZRKHBG-CYBMUJFWSA-N
MW337.34 g/mol
LogP4.73
Rot. Bonds4

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

(2R)-2-(2,4-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 40769007) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is (2R)-2-(2,4-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2,4-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID40769007
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name(2R)-2-(2,4-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCc1ccc(O[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c(C)c1
InChIInChI=1S/C18H18F3NO2/c1-11-4-9-16(12(2)10-11)24-13(3)17(23)22-15-7-5-14(6-8-15)18(19,20)21/h4-10,13H,1-3H3,(H,22,23)/t13-/m1/s1
InChIKeyKQIOKYFAZRKHBG-CYBMUJFWSA-N
XLogP4.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-tert-butylphenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 53266783
(2R)-2-(2,4-dimethylphenoxy)-N-(4-iodophenyl)propanamide
CID 1019958
2-(2,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)propanamide
CID 6916117
(2R)-N-(3,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 9173713
(2R)-2-(2,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 837579
(2S)-2-(2,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 837580
2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide
CID 4945097
N-(4-butylphenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 53266463
(2R)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 837681
(2S)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 837680
2-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3277013
N-(4-acetamidophenyl)-2-(2,5-dimethylphenoxy)propanamide
CID 4944630

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2R)-2-(2,4-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide (CID 40769007) is (2R)-2-(2,4-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-(2,4-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-(2,4-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide is Cc1ccc(O[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c(C)c1.
What is the InChIKey of (2R)-2-(2,4-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is KQIOKYFAZRKHBG-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-11-4-9-16(12(2)10-11)24-13(3)17(23)22-15-7-5-14(6-8-15)18(19,20)21/h4-10,13H,1-3H3,(H,22,23)/t13-/m1/s1.
What are the key properties of (2R)-2-(2,4-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide?
(2R)-2-(2,4-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 337.34 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 40769007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).