(2S)-2-(3,4-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide

C18H18F3NO2 — CID 890062

IUPAC(2S)-2-(3,4-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1C
InChIInChI=1S/C18H18F3NO2/c1-11-7-8-16(9-12(11)2)24-13(3)17(23)22-15-6-4-5-14(10-15)18(19,20)21/h4-10,13H,1-3H3,(H,22,23)/t13-/m0/s1
InChIKeyWARVYRGAKZOFIT-ZDUSSCGKSA-N
MW337.34 g/mol
LogP4.73
Rot. Bonds4

About (2S)-2-(3,4-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide

(2S)-2-(3,4-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 890062) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is (2S)-2-(3,4-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3,4-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID890062
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name(2S)-2-(3,4-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1C
InChIInChI=1S/C18H18F3NO2/c1-11-7-8-16(9-12(11)2)24-13(3)17(23)22-15-6-4-5-14(10-15)18(19,20)21/h4-10,13H,1-3H3,(H,22,23)/t13-/m0/s1
InChIKeyWARVYRGAKZOFIT-ZDUSSCGKSA-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

Analyze (2S)-2-(3,4-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-phenoxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 879678
(2S)-2-(3,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 7610576
(2R)-2-(2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 1254376
2-(3,4-dimethylphenoxy)-N-(3-hydroxyphenyl)propanamide
CID 17342123
2-(2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 16504652
(2S)-N-(3-bromophenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 9172441
N-(3-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 17171686
(2R)-2-(2-methoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 40745730
(2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(3-methylphenyl)propanamide
CID 2400517
2-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3277013
(2R)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 92880947
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenoxy)propanamide
CID 53266514

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2S)-2-(3,4-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide (CID 890062) is (2S)-2-(3,4-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(3,4-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-(3,4-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide is Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1C.
What is the InChIKey of (2S)-2-(3,4-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is WARVYRGAKZOFIT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-11-7-8-16(9-12(11)2)24-13(3)17(23)22-15-6-4-5-14(10-15)18(19,20)21/h4-10,13H,1-3H3,(H,22,23)/t13-/m0/s1.
What are the key properties of (2S)-2-(3,4-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide?
(2S)-2-(3,4-dimethylphenoxy)-N-[3-(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 (2S)-2-(3,4-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 890062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).