(2S)-N-(2,6-dimethylphenyl)-2-(4-fluorophenoxy)propanamide

C17H18FNO2 — CID 51473397

IUPAC(2S)-N-(2,6-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
SMILESCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(F)cc1
InChIInChI=1S/C17H18FNO2/c1-11-5-4-6-12(2)16(11)19-17(20)13(3)21-15-9-7-14(18)8-10-15/h4-10,13H,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyRCLMKXLYZBKRAE-ZDUSSCGKSA-N
MW287.33 g/mol
LogP3.85
Rot. Bonds4

About (2S)-N-(2,6-dimethylphenyl)-2-(4-fluorophenoxy)propanamide

(2S)-N-(2,6-dimethylphenyl)-2-(4-fluorophenoxy)propanamide (PubChem CID 51473397) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is (2S)-N-(2,6-dimethylphenyl)-2-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(2,6-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
PubChem CID51473397
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name(2S)-N-(2,6-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
SMILESCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(F)cc1
InChIInChI=1S/C17H18FNO2/c1-11-5-4-6-12(2)16(11)19-17(20)13(3)21-15-9-7-14(18)8-10-15/h4-10,13H,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyRCLMKXLYZBKRAE-ZDUSSCGKSA-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

(2S)-2-(4-fluorophenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 26074940
(2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7733033
(2R)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7733032
(2R)-2-(4-fluorophenoxy)-N-(2-methylphenyl)propanamide
CID 7946714
(2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,4,6-trimethylphenyl)propanamide
CID 7795231
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,6-dimethylphenyl)propanamide
CID 26542487
(2R)-2-(4-fluorophenoxy)-N-(3-methylphenyl)propanamide
CID 26218148
(2S)-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 9097735
[(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] (2R)-2-(4-fluorophenoxy)propanoate
CID 8935711
N-(3,5-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 21173898
N-(2,6-dimethylphenyl)-2-(3-ethylphenoxy)propanamide
CID 53266830
N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide
CID 51161387

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,6-dimethylphenyl)-2-(4-fluorophenoxy)propanamide?
The IUPAC name of (2S)-N-(2,6-dimethylphenyl)-2-(4-fluorophenoxy)propanamide (CID 51473397) is (2S)-N-(2,6-dimethylphenyl)-2-(4-fluorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(2,6-dimethylphenyl)-2-(4-fluorophenoxy)propanamide?
The canonical SMILES for (2S)-N-(2,6-dimethylphenyl)-2-(4-fluorophenoxy)propanamide is Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(F)cc1.
What is the InChIKey of (2S)-N-(2,6-dimethylphenyl)-2-(4-fluorophenoxy)propanamide?
The InChIKey is RCLMKXLYZBKRAE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-11-5-4-6-12(2)16(11)19-17(20)13(3)21-15-9-7-14(18)8-10-15/h4-10,13H,1-3H3,(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-N-(2,6-dimethylphenyl)-2-(4-fluorophenoxy)propanamide?
(2S)-N-(2,6-dimethylphenyl)-2-(4-fluorophenoxy)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 (2S)-N-(2,6-dimethylphenyl)-2-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 51473397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).