(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide

C17H14ClF4NO3 — CID 11741199

IUPAC(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide
SMILESC[C@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H14ClF4NO3/c1-16(25,9-26-12-5-2-10(19)3-6-12)15(24)23-11-4-7-14(18)13(8-11)17(20,21)22/h2-8,25H,9H2,1H3,(H,23,24)/t16-/m0/s1
InChIKeyGLYYCVIECUFAOT-INIZCTEOSA-N
MW391.75 g/mol
LogP4.27
Rot. Bonds5

About (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide

(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide (PubChem CID 11741199) has the molecular formula C17H14ClF4NO3 and a molecular weight of 391.75 g/mol. Its IUPAC name is (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide
PubChem CID11741199
Molecular FormulaC17H14ClF4NO3
Molecular Weight391.75 g/mol
Exact Mass391.06
IUPAC Name(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide
SMILESC[C@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H14ClF4NO3/c1-16(25,9-26-12-5-2-10(19)3-6-12)15(24)23-11-4-7-14(18)13(8-11)17(20,21)22/h2-8,25H,9H2,1H3,(H,23,24)/t16-/m0/s1
InChIKeyGLYYCVIECUFAOT-INIZCTEOSA-N
XLogP4.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.75
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide?
The IUPAC name of (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide (CID 11741199) is (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide?
The canonical SMILES for (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide is C[C@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide?
The InChIKey is GLYYCVIECUFAOT-INIZCTEOSA-N. The full InChI is InChI=1S/C17H14ClF4NO3/c1-16(25,9-26-12-5-2-10(19)3-6-12)15(24)23-11-4-7-14(18)13(8-11)17(20,21)22/h2-8,25H,9H2,1H3,(H,23,24)/t16-/m0/s1.
What are the key properties of (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide?
(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide has a molecular weight of 391.75 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 11741199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).