(2S)-N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide

C15H12ClF2NO2 — CID 7961263

IUPAC(2S)-N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C15H12ClF2NO2/c1-9(21-12-5-3-11(17)4-6-12)15(20)19-14-7-2-10(16)8-13(14)18/h2-9H,1H3,(H,19,20)/t9-/m0/s1
InChIKeyOYJIKKZUPOFUEL-VIFPVBQESA-N
MW311.72 g/mol
LogP4.02
Rot. Bonds4

About (2S)-N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide

(2S)-N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide (PubChem CID 7961263) has the molecular formula C15H12ClF2NO2 and a molecular weight of 311.72 g/mol. Its IUPAC name is (2S)-N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide
PubChem CID7961263
Molecular FormulaC15H12ClF2NO2
Molecular Weight311.72 g/mol
Exact Mass311.05
IUPAC Name(2S)-N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C15H12ClF2NO2/c1-9(21-12-5-3-11(17)4-6-12)15(20)19-14-7-2-10(16)8-13(14)18/h2-9H,1H3,(H,19,20)/t9-/m0/s1
InChIKeyOYJIKKZUPOFUEL-VIFPVBQESA-N
XLogP4.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.72
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(4-chloro-2-fluorophenyl)-2-(4-methylphenoxy)propanamide
CID 26529991
N-(4-bromo-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide
CID 18084154
(2S)-N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)propanamide
CID 7959134
(2R)-2-(4-fluorophenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 51642379
(2R)-2-(3-acetylphenoxy)-N-(4-chloro-2-fluorophenyl)propanamide
CID 8639705
(2S)-N-(4-chloro-2-fluorophenyl)-2-(3-methyl-4-nitrophenoxy)propanamide
CID 9384236
N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)propanamide
CID 18084152
N-(4-bromo-2-fluorophenyl)-2-(3-chlorophenoxy)propanamide
CID 2930780
(2R)-N-(2,4-dichlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9238690
(2S)-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 9097735
N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 43004127
(2R)-N-(4-bromo-2-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide
CID 8578082

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide?
The IUPAC name of (2S)-N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide (CID 7961263) is (2S)-N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide?
The canonical SMILES for (2S)-N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide is C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of (2S)-N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide?
The InChIKey is OYJIKKZUPOFUEL-VIFPVBQESA-N. The full InChI is InChI=1S/C15H12ClF2NO2/c1-9(21-12-5-3-11(17)4-6-12)15(20)19-14-7-2-10(16)8-13(14)18/h2-9H,1H3,(H,19,20)/t9-/m0/s1.
What are the key properties of (2S)-N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide?
(2S)-N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide has a molecular weight of 311.72 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 7961263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).