(2S)-2-phenoxy-N-[4-(trifluoromethoxy)phenyl]propanamide

C16H14F3NO3 — CID 934380

IUPAC(2S)-2-phenoxy-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESC[C@H](Oc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H14F3NO3/c1-11(22-13-5-3-2-4-6-13)15(21)20-12-7-9-14(10-8-12)23-16(17,18)19/h2-11H,1H3,(H,20,21)/t11-/m0/s1
InChIKeyBOMSQFAAAZIQHP-NSHDSACASA-N
MW325.29 g/mol
LogP3.99
Rot. Bonds5

About (2S)-2-phenoxy-N-[4-(trifluoromethoxy)phenyl]propanamide

(2S)-2-phenoxy-N-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 934380) has the molecular formula C16H14F3NO3 and a molecular weight of 325.29 g/mol. Its IUPAC name is (2S)-2-phenoxy-N-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-phenoxy-N-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID934380
Molecular FormulaC16H14F3NO3
Molecular Weight325.29 g/mol
Exact Mass325.09
IUPAC Name(2S)-2-phenoxy-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESC[C@H](Oc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H14F3NO3/c1-11(22-13-5-3-2-4-6-13)15(21)20-12-7-9-14(10-8-12)23-16(17,18)19/h2-11H,1H3,(H,20,21)/t11-/m0/s1
InChIKeyBOMSQFAAAZIQHP-NSHDSACASA-N
XLogP3.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-2-yloxy-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 133168907
2-(2-methylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 133166532
2-(3,4-dimethylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 133166592
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid
CID 1365740
2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide
CID 40976571
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 2952537
N-phenyl-2-(4-phenylphenoxy)propanamide
CID 2969640
(2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2304863
2-[4-(2-phenoxypropanoylamino)phenoxy]acetic acid
CID 2898320
2-(4-bromophenoxy)-N-(4-phenoxyphenyl)propanamide
CID 18837977

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenoxy-N-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of (2S)-2-phenoxy-N-[4-(trifluoromethoxy)phenyl]propanamide (CID 934380) is (2S)-2-phenoxy-N-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for (2S)-2-phenoxy-N-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for (2S)-2-phenoxy-N-[4-(trifluoromethoxy)phenyl]propanamide is C[C@H](Oc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (2S)-2-phenoxy-N-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is BOMSQFAAAZIQHP-NSHDSACASA-N. The full InChI is InChI=1S/C16H14F3NO3/c1-11(22-13-5-3-2-4-6-13)15(21)20-12-7-9-14(10-8-12)23-16(17,18)19/h2-11H,1H3,(H,20,21)/t11-/m0/s1.
What are the key properties of (2S)-2-phenoxy-N-[4-(trifluoromethoxy)phenyl]propanamide?
(2S)-2-phenoxy-N-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 325.29 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenoxy-N-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 934380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).