(2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide

C19H19ClF3NO2 — CID 92681030

IUPAC(2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide
SMILESCC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H19ClF3NO2/c1-11(2)14-6-4-5-7-17(14)26-12(3)18(25)24-13-8-9-16(20)15(10-13)19(21,22)23/h4-12H,1-3H3,(H,24,25)/t12-/m1/s1
InChIKeyYUFHLNYTFIMXMH-GFCCVEGCSA-N
MW385.81 g/mol
LogP5.89
Rot. Bonds5

About (2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide

(2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide (PubChem CID 92681030) has the molecular formula C19H19ClF3NO2 and a molecular weight of 385.81 g/mol. Its IUPAC name is (2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide
PubChem CID92681030
Molecular FormulaC19H19ClF3NO2
Molecular Weight385.81 g/mol
Exact Mass385.11
IUPAC Name(2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide
SMILESCC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H19ClF3NO2/c1-11(2)14-6-4-5-7-17(14)26-12(3)18(25)24-13-8-9-16(20)15(10-13)19(21,22)23/h4-12H,1-3H3,(H,24,25)/t12-/m1/s1
InChIKeyYUFHLNYTFIMXMH-GFCCVEGCSA-N
XLogP5.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.81
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133160353
(2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119263846
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 82134049
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 16511712
2-(2-propan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 46769245
[1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl] propanoate
CID 18270404
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133187551
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)butanamide
CID 43886287
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43905902
N-(4-propan-2-yloxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43907362
(2S)-N-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 38017067
(2R)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 28636193

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide?
The IUPAC name of (2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide (CID 92681030) is (2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide is CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of (2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide?
The InChIKey is YUFHLNYTFIMXMH-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H19ClF3NO2/c1-11(2)14-6-4-5-7-17(14)26-12(3)18(25)24-13-8-9-16(20)15(10-13)19(21,22)23/h4-12H,1-3H3,(H,24,25)/t12-/m1/s1.
What are the key properties of (2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide?
(2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide has a molecular weight of 385.81 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 92681030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).