(2S)-2-(3-methoxyphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

C18H18F3NO3 — CID 100704874

IUPAC(2S)-2-(3-methoxyphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCOc1cccc(O[C@@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H18F3NO3/c1-12(25-16-8-4-7-15(10-16)24-2)17(23)22-11-13-5-3-6-14(9-13)18(19,20)21/h3-10,12H,11H2,1-2H3,(H,22,23)/t12-/m0/s1
InChIKeySIFHXHRTUALPBP-LBPRGKRZSA-N
MW353.34 g/mol
LogP3.80
Rot. Bonds6

About (2S)-2-(3-methoxyphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

(2S)-2-(3-methoxyphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 100704874) has the molecular formula C18H18F3NO3 and a molecular weight of 353.34 g/mol. Its IUPAC name is (2S)-2-(3-methoxyphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-methoxyphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID100704874
Molecular FormulaC18H18F3NO3
Molecular Weight353.34 g/mol
Exact Mass353.12
IUPAC Name(2S)-2-(3-methoxyphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCOc1cccc(O[C@@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H18F3NO3/c1-12(25-16-8-4-7-15(10-16)24-2)17(23)22-11-13-5-3-6-14(9-13)18(19,20)21/h3-10,12H,11H2,1-2H3,(H,22,23)/t12-/m0/s1
InChIKeySIFHXHRTUALPBP-LBPRGKRZSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 43001904
2-(3-bromophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 45147940
(2S)-2-(3-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 26241557
(2R)-N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenoxy)propanamide
CID 92675443
2-(3,4-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]propanamide
CID 53286233
N-[(3-methoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 53282955
methyl (3R)-3-methyl-4-oxo-4-[[3-(trifluoromethyl)phenyl]methylamino]butanoate
CID 68614015
2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 4877482
2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 79196060
N-[(3-methoxyphenyl)methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 55525118
2-(3-methoxyphenoxy)-N-(2-phenylethyl)propanamide
CID 19203903
(2R)-2-(3-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 7834533

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methoxyphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of (2S)-2-(3-methoxyphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (CID 100704874) is (2S)-2-(3-methoxyphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for (2S)-2-(3-methoxyphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for (2S)-2-(3-methoxyphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is COc1cccc(O[C@@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of (2S)-2-(3-methoxyphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is SIFHXHRTUALPBP-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H18F3NO3/c1-12(25-16-8-4-7-15(10-16)24-2)17(23)22-11-13-5-3-6-14(9-13)18(19,20)21/h3-10,12H,11H2,1-2H3,(H,22,23)/t12-/m0/s1.
What are the key properties of (2S)-2-(3-methoxyphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
(2S)-2-(3-methoxyphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 353.34 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methoxyphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 100704874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).