(2R)-2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)propanamide

C17H18FNO2 — CID 9173132

IUPAC(2R)-2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)propanamide
SMILESCc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C17H18FNO2/c1-11-8-12(2)10-16(9-11)21-13(3)17(20)19-15-6-4-14(18)5-7-15/h4-10,13H,1-3H3,(H,19,20)/t13-/m1/s1
InChIKeyXFUTYQJAMFEVSI-CYBMUJFWSA-N
MW287.33 g/mol
LogP3.85
Rot. Bonds4

About (2R)-2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)propanamide

(2R)-2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)propanamide (PubChem CID 9173132) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)propanamide
PubChem CID9173132
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name(2R)-2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)propanamide
SMILESCc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C17H18FNO2/c1-11-8-12(2)10-16(9-11)21-13(3)17(20)19-15-6-4-14(18)5-7-15/h4-10,13H,1-3H3,(H,19,20)/t13-/m1/s1
InChIKeyXFUTYQJAMFEVSI-CYBMUJFWSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 21173898
(2R)-2-(3,5-dimethylphenoxy)-N-(4-ethylphenyl)propanamide
CID 40746967
(2S)-2-(3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 890882
(2S)-2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 99132186
4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide
CID 7709738
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653
(2R)-N-(3-acetamidophenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 29464050
N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
CID 3305617
(2R)-2-(4-fluorophenoxy)-N-(3-methylphenyl)propanamide
CID 26218148
(2S)-2-(3-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7818352
N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 24511211
(2S)-2-(3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100506199

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)propanamide?
The IUPAC name of (2R)-2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)propanamide (CID 9173132) is (2R)-2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)propanamide?
The canonical SMILES for (2R)-2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)propanamide is Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of (2R)-2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)propanamide?
The InChIKey is XFUTYQJAMFEVSI-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-11-8-12(2)10-16(9-11)21-13(3)17(20)19-15-6-4-14(18)5-7-15/h4-10,13H,1-3H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)propanamide?
(2R)-2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)propanamide has a molecular weight of 287.33 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 9173132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).