N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

C20H21ClF3NO2 — CID 133160353

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCc1ccc(C(C)C)c(OC(C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C20H21ClF3NO2/c1-11(2)15-7-5-12(3)9-18(15)27-13(4)19(26)25-14-6-8-17(21)16(10-14)20(22,23)24/h5-11,13H,1-4H3,(H,25,26)
InChIKeyLSTOSJLLMZQISB-UHFFFAOYSA-N
MW399.84 g/mol
LogP6.20
Rot. Bonds5

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (PubChem CID 133160353) has the molecular formula C20H21ClF3NO2 and a molecular weight of 399.84 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
PubChem CID133160353
Molecular FormulaC20H21ClF3NO2
Molecular Weight399.84 g/mol
Exact Mass399.12
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCc1ccc(C(C)C)c(OC(C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C20H21ClF3NO2/c1-11(2)15-7-5-12(3)9-18(15)27-13(4)19(26)25-14-6-8-17(21)16(10-14)20(22,23)24/h5-11,13H,1-4H3,(H,25,26)
InChIKeyLSTOSJLLMZQISB-UHFFFAOYSA-N
XLogP6.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.84
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 92681030
N-(3,4-difluorophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133219312
N-(4-aminophenyl)-2-(2-chloro-5-methylphenoxy)propanamide
CID 43364367
(2S)-2-(2-chloro-5-methylphenoxy)-N-phenylpropanamide
CID 7642896
(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
(2R)-N-(3-methoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 95310662
(2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 100558876
[1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl] propanoate
CID 18270404
ethyl 4-[2-(5-methyl-2-propan-2-ylphenoxy)propanoylamino]benzoate
CID 133162806
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propanamide
CID 78759978

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (CID 133160353) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is Cc1ccc(C(C)C)c(OC(C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The InChIKey is LSTOSJLLMZQISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3NO2/c1-11(2)15-7-5-12(3)9-18(15)27-13(4)19(26)25-14-6-8-17(21)16(10-14)20(22,23)24/h5-11,13H,1-4H3,(H,25,26).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide has a molecular weight of 399.84 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 133160353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).