N-(2,6-difluorophenyl)-2-(2,3-dimethylphenoxy)propanamide

C17H17F2NO2 — CID 43915329

IUPACN-(2,6-difluorophenyl)-2-(2,3-dimethylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2c(F)cccc2F)c1C
InChIInChI=1S/C17H17F2NO2/c1-10-6-4-9-15(11(10)2)22-12(3)17(21)20-16-13(18)7-5-8-14(16)19/h4-9,12H,1-3H3,(H,20,21)
InChIKeyFAWRATINWYJJIG-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.99
Rot. Bonds4

About N-(2,6-difluorophenyl)-2-(2,3-dimethylphenoxy)propanamide

N-(2,6-difluorophenyl)-2-(2,3-dimethylphenoxy)propanamide (PubChem CID 43915329) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-(2,3-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-(2,3-dimethylphenoxy)propanamide
PubChem CID43915329
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC NameN-(2,6-difluorophenyl)-2-(2,3-dimethylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2c(F)cccc2F)c1C
InChIInChI=1S/C17H17F2NO2/c1-10-6-4-9-15(11(10)2)22-12(3)17(21)20-16-13(18)7-5-8-14(16)19/h4-9,12H,1-3H3,(H,20,21)
InChIKeyFAWRATINWYJJIG-UHFFFAOYSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide
CID 28574303
2-(2,3-dimethylphenoxy)-N-phenylpropanamide
CID 43909351
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide
CID 43008416
(2S)-N-(3-chloro-4-fluorophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 28631237
2-(2-bromo-4-methylphenoxy)-N-(2,6-difluorophenyl)propanamide
CID 51236277
(2S)-N-(2-bromophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 891226
(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 38013113
(2S)-N-(2,6-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 51473397
(2R)-N-cyclopropyl-2-(2,3-dimethylphenoxy)propanamide
CID 39717598
2-(2,3-dimethylphenoxy)-N-pyridin-3-ylpropanamide
CID 43875980
dimethyl 5-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]benzene-1,3-dicarboxylate
CID 28982159
2-(2,3-dimethylphenoxy)-N-(1,2-oxazol-3-yl)propanamide
CID 17249224

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-(2,3-dimethylphenoxy)propanamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-(2,3-dimethylphenoxy)propanamide (CID 43915329) is N-(2,6-difluorophenyl)-2-(2,3-dimethylphenoxy)propanamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-(2,3-dimethylphenoxy)propanamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-(2,3-dimethylphenoxy)propanamide is Cc1cccc(OC(C)C(=O)Nc2c(F)cccc2F)c1C.
What is the InChIKey of N-(2,6-difluorophenyl)-2-(2,3-dimethylphenoxy)propanamide?
The InChIKey is FAWRATINWYJJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2/c1-10-6-4-9-15(11(10)2)22-12(3)17(21)20-16-13(18)7-5-8-14(16)19/h4-9,12H,1-3H3,(H,20,21).
What are the key properties of N-(2,6-difluorophenyl)-2-(2,3-dimethylphenoxy)propanamide?
N-(2,6-difluorophenyl)-2-(2,3-dimethylphenoxy)propanamide has a molecular weight of 305.32 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-(2,3-dimethylphenoxy)propanamide is sourced from PubChem (CID 43915329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).