(2S)-N-(3-chloro-4-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide

C15H11ClF3NO2 — CID 8578068

IUPAC(2S)-N-(3-chloro-4-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide
SMILESC[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H11ClF3NO2/c1-8(22-10-3-5-13(18)14(19)7-10)15(21)20-9-2-4-12(17)11(16)6-9/h2-8H,1H3,(H,20,21)/t8-/m0/s1
InChIKeyPVSHGJVYYDXGIS-QMMMGPOBSA-N
MW329.71 g/mol
LogP4.16
Rot. Bonds4

About (2S)-N-(3-chloro-4-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide

(2S)-N-(3-chloro-4-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide (PubChem CID 8578068) has the molecular formula C15H11ClF3NO2 and a molecular weight of 329.71 g/mol. Its IUPAC name is (2S)-N-(3-chloro-4-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-4-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide
PubChem CID8578068
Molecular FormulaC15H11ClF3NO2
Molecular Weight329.71 g/mol
Exact Mass329.04
IUPAC Name(2S)-N-(3-chloro-4-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide
SMILESC[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H11ClF3NO2/c1-8(22-10-3-5-13(18)14(19)7-10)15(21)20-9-2-4-12(17)11(16)6-9/h2-8H,1H3,(H,20,21)/t8-/m0/s1
InChIKeyPVSHGJVYYDXGIS-QMMMGPOBSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.71
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-acetamidophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
CID 24511691
N-(3-chloro-4-fluorophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953359
(2R)-2-(3-chloro-4-fluorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 7751009
(2R)-2-(3-chloro-4-fluorophenoxy)-N-(3-chlorophenyl)propanamide
CID 7751006
4-[[(2S)-2-(3-chloro-4-fluorophenoxy)propanoyl]amino]benzamide
CID 7751173
2-(3,4-difluorophenoxy)-N-phenylpropanamide
CID 42982598
(2R)-N-(3-chloro-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 2683063
(2S)-N-(3-chloro-4-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7734043
(2S)-N-(3-chloro-4-fluorophenyl)-2-(3-methyl-4-nitrophenoxy)propanamide
CID 9384234
(2R)-N-(3,4-dichlorophenyl)-2-(4-fluorophenoxy)propanamide
CID 40721189
(2S)-N-(3,4-difluorophenyl)-2-phenoxypropanamide
CID 670052
N-(3-chloro-4-fluorophenyl)-3-[2-(4-methylphenoxy)propanoylamino]benzamide
CID 43877922

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-4-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide?
The IUPAC name of (2S)-N-(3-chloro-4-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide (CID 8578068) is (2S)-N-(3-chloro-4-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(3-chloro-4-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide?
The canonical SMILES for (2S)-N-(3-chloro-4-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide is C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of (2S)-N-(3-chloro-4-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide?
The InChIKey is PVSHGJVYYDXGIS-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H11ClF3NO2/c1-8(22-10-3-5-13(18)14(19)7-10)15(21)20-9-2-4-12(17)11(16)6-9/h2-8H,1H3,(H,20,21)/t8-/m0/s1.
What are the key properties of (2S)-N-(3-chloro-4-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide?
(2S)-N-(3-chloro-4-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide has a molecular weight of 329.71 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chloro-4-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide is sourced from PubChem (CID 8578068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).