(2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(3-methylphenyl)propanamide

C18H15F6NO2 — CID 2400517

IUPAC(2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@@H](C)Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H15F6NO2/c1-10-4-3-5-14(6-10)25-16(26)11(2)27-15-8-12(17(19,20)21)7-13(9-15)18(22,23)24/h3-9,11H,1-2H3,(H,25,26)/t11-/m1/s1
InChIKeyXCBBKJKRWZMORE-LLVKDONJSA-N
MW391.31 g/mol
LogP5.44
Rot. Bonds4

About (2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(3-methylphenyl)propanamide

(2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(3-methylphenyl)propanamide (PubChem CID 2400517) has the molecular formula C18H15F6NO2 and a molecular weight of 391.31 g/mol. Its IUPAC name is (2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(3-methylphenyl)propanamide
PubChem CID2400517
Molecular FormulaC18H15F6NO2
Molecular Weight391.31 g/mol
Exact Mass391.10
IUPAC Name(2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@@H](C)Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H15F6NO2/c1-10-4-3-5-14(6-10)25-16(26)11(2)27-15-8-12(17(19,20)21)7-13(9-15)18(22,23)24/h3-9,11H,1-2H3,(H,25,26)/t11-/m1/s1
InChIKeyXCBBKJKRWZMORE-LLVKDONJSA-N
XLogP5.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.31
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
(2R)-2-(4-fluorophenoxy)-N-(3-methylphenyl)propanamide
CID 26218148
2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 21367472
(2R)-2-phenoxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 879678
(2S)-2-(3,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 7610576
(2S)-2-(3,4-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 890062
[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 4-(trifluoromethyl)benzoate
CID 7838412
(2S)-N-(3-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943627
(2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2168120
(2R)-N-(3-acetamidophenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 29464050
(2R)-N-(3-bromophenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 1225320

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(3-methylphenyl)propanamide?
The IUPAC name of (2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(3-methylphenyl)propanamide (CID 2400517) is (2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(3-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)[C@@H](C)Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.
What is the InChIKey of (2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(3-methylphenyl)propanamide?
The InChIKey is XCBBKJKRWZMORE-LLVKDONJSA-N. The full InChI is InChI=1S/C18H15F6NO2/c1-10-4-3-5-14(6-10)25-16(26)11(2)27-15-8-12(17(19,20)21)7-13(9-15)18(22,23)24/h3-9,11H,1-2H3,(H,25,26)/t11-/m1/s1.
What are the key properties of (2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(3-methylphenyl)propanamide?
(2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(3-methylphenyl)propanamide has a molecular weight of 391.31 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 2400517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).