(2R)-2-(3-methoxyphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide

C18H18F3NO3 — CID 92681503

IUPAC(2R)-2-(3-methoxyphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide
SMILESCC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO3/c1-3-16(25-15-6-4-5-14(11-15)24-2)17(23)22-13-9-7-12(8-10-13)18(19,20)21/h4-11,16H,3H2,1-2H3,(H,22,23)/t16-/m1/s1
InChIKeyMAAQPNFZDSJKLO-MRXNPFEDSA-N
MW353.34 g/mol
LogP4.51
Rot. Bonds6

About (2R)-2-(3-methoxyphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide

(2R)-2-(3-methoxyphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide (PubChem CID 92681503) has the molecular formula C18H18F3NO3 and a molecular weight of 353.34 g/mol. Its IUPAC name is (2R)-2-(3-methoxyphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(3-methoxyphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide
PubChem CID92681503
Molecular FormulaC18H18F3NO3
Molecular Weight353.34 g/mol
Exact Mass353.12
IUPAC Name(2R)-2-(3-methoxyphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide
SMILESCC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO3/c1-3-16(25-15-6-4-5-14(11-15)24-2)17(23)22-13-9-7-12(8-10-13)18(19,20)21/h4-11,16H,3H2,1-2H3,(H,22,23)/t16-/m1/s1
InChIKeyMAAQPNFZDSJKLO-MRXNPFEDSA-N
XLogP4.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-2-yloxy-N-[4-(trifluoromethyl)phenyl]butanamide
CID 17071471
(2R)-N-(4-ethoxyphenyl)-2-(3-methoxyphenoxy)butanamide
CID 92679130
N-(3-methoxyphenyl)-2-phenoxybutanamide
CID 3831473
(2S)-N-(3-ethoxyphenyl)-2-(3-methoxyphenoxy)butanamide
CID 94027504
(2R)-2-(2,3-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide
CID 28958403
(2R)-N-(2,6-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide
CID 28577552
(2S)-2-(3-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 28632081
(2R)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide
CID 30384301
(2S)-2-(4-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 28578484
(2R)-2-(4-ethylphenoxy)-N-(3-methoxyphenyl)butanamide
CID 99132919
(2S)-N-(3-methoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 38010633
(2R)-N-(3-methoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 38010628

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methoxyphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of (2R)-2-(3-methoxyphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide (CID 92681503) is (2R)-2-(3-methoxyphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for (2R)-2-(3-methoxyphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for (2R)-2-(3-methoxyphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide is CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2R)-2-(3-methoxyphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide?
The InChIKey is MAAQPNFZDSJKLO-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18F3NO3/c1-3-16(25-15-6-4-5-14(11-15)24-2)17(23)22-13-9-7-12(8-10-13)18(19,20)21/h4-11,16H,3H2,1-2H3,(H,22,23)/t16-/m1/s1.
What are the key properties of (2R)-2-(3-methoxyphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide?
(2R)-2-(3-methoxyphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide has a molecular weight of 353.34 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methoxyphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 92681503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).