(2R)-N-(3,4-difluorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide

C18H19F2NO2 — CID 38261962

IUPAC(2R)-N-(3,4-difluorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C18H19F2NO2/c1-10-7-11(2)12(3)17(8-10)23-13(4)18(22)21-14-5-6-15(19)16(20)9-14/h5-9,13H,1-4H3,(H,21,22)/t13-/m1/s1
InChIKeyLUNOCTRVLKFFFW-CYBMUJFWSA-N
MW319.35 g/mol
LogP4.30
Rot. Bonds4

About (2R)-N-(3,4-difluorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide

(2R)-N-(3,4-difluorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide (PubChem CID 38261962) has the molecular formula C18H19F2NO2 and a molecular weight of 319.35 g/mol. Its IUPAC name is (2R)-N-(3,4-difluorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(3,4-difluorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
PubChem CID38261962
Molecular FormulaC18H19F2NO2
Molecular Weight319.35 g/mol
Exact Mass319.14
IUPAC Name(2R)-N-(3,4-difluorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C18H19F2NO2/c1-10-7-11(2)12(3)17(8-10)23-13(4)18(22)21-14-5-6-15(19)16(20)9-14/h5-9,13H,1-4H3,(H,21,22)/t13-/m1/s1
InChIKeyLUNOCTRVLKFFFW-CYBMUJFWSA-N
XLogP4.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(3,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 9173713
(2S)-N-(4-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 94019096
(2R)-N-(3-chloro-4-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 99952466
2-(4-chloro-2-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 2932686
N-(3,4-difluorophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133219312
(2R)-N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 94016158
(2S)-N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 94016157
(2S)-2-(2-bromo-4-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 8958051
methyl 2-chloro-5-[[(2S)-2-(2,3,5-trimethylphenoxy)propanoyl]amino]benzoate
CID 28578411
(2S)-N-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 92678107
methyl 3-[2-(2,3,5-trimethylphenoxy)propanoylamino]benzoate
CID 43885235
N-(2,4-dichlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 46770459

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,4-difluorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide?
The IUPAC name of (2R)-N-(3,4-difluorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide (CID 38261962) is (2R)-N-(3,4-difluorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(3,4-difluorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide?
The canonical SMILES for (2R)-N-(3,4-difluorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide is Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of (2R)-N-(3,4-difluorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide?
The InChIKey is LUNOCTRVLKFFFW-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19F2NO2/c1-10-7-11(2)12(3)17(8-10)23-13(4)18(22)21-14-5-6-15(19)16(20)9-14/h5-9,13H,1-4H3,(H,21,22)/t13-/m1/s1.
What are the key properties of (2R)-N-(3,4-difluorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide?
(2R)-N-(3,4-difluorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide has a molecular weight of 319.35 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,4-difluorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide is sourced from PubChem (CID 38261962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).