(2S)-N-(2-ethoxyphenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide

C17H15F4NO3 — CID 1225337

IUPAC(2S)-N-(2-ethoxyphenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide
SMILESCCOc1ccccc1NC(=O)[C@H](C)Oc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C17H15F4NO3/c1-3-24-13-7-5-4-6-12(13)22-17(23)9(2)25-16-14(20)10(18)8-11(19)15(16)21/h4-9H,3H2,1-2H3,(H,22,23)/t9-/m0/s1
InChIKeySWWZVMPIMFRZIS-VIFPVBQESA-N
MW357.30 g/mol
LogP4.05
Rot. Bonds6

About (2S)-N-(2-ethoxyphenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide

(2S)-N-(2-ethoxyphenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide (PubChem CID 1225337) has the molecular formula C17H15F4NO3 and a molecular weight of 357.30 g/mol. Its IUPAC name is (2S)-N-(2-ethoxyphenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-ethoxyphenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide
PubChem CID1225337
Molecular FormulaC17H15F4NO3
Molecular Weight357.30 g/mol
Exact Mass357.10
IUPAC Name(2S)-N-(2-ethoxyphenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide
SMILESCCOc1ccccc1NC(=O)[C@H](C)Oc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C17H15F4NO3/c1-3-24-13-7-5-4-6-12(13)22-17(23)9(2)25-16-14(20)10(18)8-11(19)15(16)21/h4-9H,3H2,1-2H3,(H,22,23)/t9-/m0/s1
InChIKeySWWZVMPIMFRZIS-VIFPVBQESA-N
XLogP4.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(2-ethoxyphenyl)-2-(2-methylphenoxy)propanamide
CID 837498
(2R)-2-(3,5-dimethylphenoxy)-N-(2-ethoxyphenyl)propanamide
CID 890147
N-(2-ethoxyphenyl)-4-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 156704842
(2R)-2-(3-bromophenoxy)-N-(2-ethoxyphenyl)propanamide
CID 1177379
2-(3-bromophenoxy)-N-(2-ethoxyphenyl)propanamide
CID 3670954
(2S)-N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 40770254
N-(2-ethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 134012633
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide
CID 7467684
(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-ethoxyphenyl)propanamide
CID 8730577
2-[2-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-(2-ethoxyphenyl)propanamide
CID 3021953
N-(2,5-dichlorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide
CID 5077504
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-ethoxyphenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide?
The IUPAC name of (2S)-N-(2-ethoxyphenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide (CID 1225337) is (2S)-N-(2-ethoxyphenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(2-ethoxyphenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide?
The canonical SMILES for (2S)-N-(2-ethoxyphenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide is CCOc1ccccc1NC(=O)[C@H](C)Oc1c(F)c(F)cc(F)c1F.
What is the InChIKey of (2S)-N-(2-ethoxyphenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide?
The InChIKey is SWWZVMPIMFRZIS-VIFPVBQESA-N. The full InChI is InChI=1S/C17H15F4NO3/c1-3-24-13-7-5-4-6-12(13)22-17(23)9(2)25-16-14(20)10(18)8-11(19)15(16)21/h4-9H,3H2,1-2H3,(H,22,23)/t9-/m0/s1.
What are the key properties of (2S)-N-(2-ethoxyphenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide?
(2S)-N-(2-ethoxyphenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide has a molecular weight of 357.30 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-ethoxyphenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide is sourced from PubChem (CID 1225337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).