(2S)-N-(3-chloro-4-cyanophenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide

C17H14ClFN2O3 — CID 10315765

IUPAC(2S)-N-(3-chloro-4-cyanophenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide
SMILESC[C@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C17H14ClFN2O3/c1-17(23,10-24-14-6-3-12(19)4-7-14)16(22)21-13-5-2-11(9-20)15(18)8-13/h2-8,23H,10H2,1H3,(H,21,22)/t17-/m0/s1
InChIKeyGADRAPGGBTTXBC-KRWDZBQOSA-N
MW348.76 g/mol
LogP3.12
Rot. Bonds5

About (2S)-N-(3-chloro-4-cyanophenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide

(2S)-N-(3-chloro-4-cyanophenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide (PubChem CID 10315765) has the molecular formula C17H14ClFN2O3 and a molecular weight of 348.76 g/mol. Its IUPAC name is (2S)-N-(3-chloro-4-cyanophenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-4-cyanophenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide
PubChem CID10315765
Molecular FormulaC17H14ClFN2O3
Molecular Weight348.76 g/mol
Exact Mass348.07
IUPAC Name(2S)-N-(3-chloro-4-cyanophenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide
SMILESC[C@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C17H14ClFN2O3/c1-17(23,10-24-14-6-3-12(19)4-7-14)16(22)21-13-5-2-11(9-20)15(18)8-13/h2-8,23H,10H2,1H3,(H,21,22)/t17-/m0/s1
InChIKeyGADRAPGGBTTXBC-KRWDZBQOSA-N
XLogP3.12
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.76
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-4-cyanophenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide?
The IUPAC name of (2S)-N-(3-chloro-4-cyanophenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide (CID 10315765) is (2S)-N-(3-chloro-4-cyanophenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for (2S)-N-(3-chloro-4-cyanophenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide?
The canonical SMILES for (2S)-N-(3-chloro-4-cyanophenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide is C[C@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1.
What is the InChIKey of (2S)-N-(3-chloro-4-cyanophenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide?
The InChIKey is GADRAPGGBTTXBC-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H14ClFN2O3/c1-17(23,10-24-14-6-3-12(19)4-7-14)16(22)21-13-5-2-11(9-20)15(18)8-13/h2-8,23H,10H2,1H3,(H,21,22)/t17-/m0/s1.
What are the key properties of (2S)-N-(3-chloro-4-cyanophenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide?
(2S)-N-(3-chloro-4-cyanophenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide has a molecular weight of 348.76 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chloro-4-cyanophenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 10315765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).