(2R)-2-(2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide

C17H16F3NO2 — CID 1254376

IUPAC(2R)-2-(2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCc1ccccc1O[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO2/c1-11-6-3-4-9-15(11)23-12(2)16(22)21-14-8-5-7-13(10-14)17(18,19)20/h3-10,12H,1-2H3,(H,21,22)/t12-/m1/s1
InChIKeyIMTCCLIUMKZZPR-GFCCVEGCSA-N
MW323.31 g/mol
LogP4.42
Rot. Bonds4

About (2R)-2-(2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide

(2R)-2-(2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 1254376) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is (2R)-2-(2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID1254376
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC Name(2R)-2-(2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCc1ccccc1O[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO2/c1-11-6-3-4-9-15(11)23-12(2)16(22)21-14-8-5-7-13(10-14)17(18,19)20/h3-10,12H,1-2H3,(H,21,22)/t12-/m1/s1
InChIKeyIMTCCLIUMKZZPR-GFCCVEGCSA-N
XLogP4.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-methoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 40745730
2-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3277013
(2S)-2-(2-methylphenoxy)-N-[3-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019898
(2R)-2-phenoxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 879678
(2S)-2-(3,4-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 890062
(2S)-2-(2-nitrophenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 7819322
4-[2-(2,6-dimethylphenoxy)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 43887249
N-tert-butyl-3-[2-(2-methylphenoxy)propanoylamino]benzamide
CID 43887288
2-[(2-nitro-3-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 16959128
(2S)-2-(4-bromo-2-formylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 41014399
2-(2-methylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 133166532
N-(4-bromo-3-methylphenyl)-2-(2-methylphenoxy)propanamide
CID 43876544

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2R)-2-(2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide (CID 1254376) is (2R)-2-(2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-(2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-(2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide is Cc1ccccc1O[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of (2R)-2-(2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is IMTCCLIUMKZZPR-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16F3NO2/c1-11-6-3-4-9-15(11)23-12(2)16(22)21-14-8-5-7-13(10-14)17(18,19)20/h3-10,12H,1-2H3,(H,21,22)/t12-/m1/s1.
What are the key properties of (2R)-2-(2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide?
(2R)-2-(2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 323.31 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 1254376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).