(2S)-N-(2-chloro-4-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide

C15H9ClF5NO2 — CID 7467684

IUPAC(2S)-N-(2-chloro-4-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide
SMILESC[C@H](Oc1c(F)c(F)cc(F)c1F)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C15H9ClF5NO2/c1-6(15(23)22-11-3-2-7(17)4-8(11)16)24-14-12(20)9(18)5-10(19)13(14)21/h2-6H,1H3,(H,22,23)/t6-/m0/s1
InChIKeyHATYRFQVMMBSBO-LURJTMIESA-N
MW365.69 g/mol
LogP4.44
Rot. Bonds4

About (2S)-N-(2-chloro-4-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide

(2S)-N-(2-chloro-4-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide (PubChem CID 7467684) has the molecular formula C15H9ClF5NO2 and a molecular weight of 365.69 g/mol. Its IUPAC name is (2S)-N-(2-chloro-4-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-chloro-4-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide
PubChem CID7467684
Molecular FormulaC15H9ClF5NO2
Molecular Weight365.69 g/mol
Exact Mass365.02
IUPAC Name(2S)-N-(2-chloro-4-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide
SMILESC[C@H](Oc1c(F)c(F)cc(F)c1F)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C15H9ClF5NO2/c1-6(15(23)22-11-3-2-7(17)4-8(11)16)24-14-12(20)9(18)5-10(19)13(14)21/h2-6H,1H3,(H,22,23)/t6-/m0/s1
InChIKeyHATYRFQVMMBSBO-LURJTMIESA-N
XLogP4.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.69
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dichlorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide
CID 5077504
2-(2-chloro-4-fluorophenoxy)-N-(2,4-dichlorophenyl)propanamide
CID 112778697
(2S)-N-(2-chloro-4-fluorophenyl)-2-(3,5-dimethoxyphenoxy)propanamide
CID 7713955
(2R)-N-(2-chloro-4-fluorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 7834392
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 7834391
(2R)-2-(4-tert-butylphenoxy)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7703445
(2S)-2-(2-bromophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7707079
(2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide
CID 2369653
[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2,6-dichlorobenzoate
CID 2488888
[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2,6-dichlorobenzoate
CID 2488890
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-formylphenoxy)propanamide
CID 7762785
[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] propanoate
CID 7851242

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-chloro-4-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide?
The IUPAC name of (2S)-N-(2-chloro-4-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide (CID 7467684) is (2S)-N-(2-chloro-4-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(2-chloro-4-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide?
The canonical SMILES for (2S)-N-(2-chloro-4-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide is C[C@H](Oc1c(F)c(F)cc(F)c1F)C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of (2S)-N-(2-chloro-4-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide?
The InChIKey is HATYRFQVMMBSBO-LURJTMIESA-N. The full InChI is InChI=1S/C15H9ClF5NO2/c1-6(15(23)22-11-3-2-7(17)4-8(11)16)24-14-12(20)9(18)5-10(19)13(14)21/h2-6H,1H3,(H,22,23)/t6-/m0/s1.
What are the key properties of (2S)-N-(2-chloro-4-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide?
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide has a molecular weight of 365.69 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-chloro-4-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide is sourced from PubChem (CID 7467684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).