(2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide

C17H18FNO2 — CID 7733033

IUPAC(2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
SMILESCc1cccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)c1C
InChIInChI=1S/C17H18FNO2/c1-11-5-4-6-16(12(11)2)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
InChIKeyULCCELHIJBOVQV-ZDUSSCGKSA-N
MW287.33 g/mol
LogP3.85
Rot. Bonds4

About (2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide

(2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide (PubChem CID 7733033) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is (2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
PubChem CID7733033
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name(2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
SMILESCc1cccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)c1C
InChIInChI=1S/C17H18FNO2/c1-11-5-4-6-16(12(11)2)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
InChIKeyULCCELHIJBOVQV-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

(2R)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7733032
(2R)-2-(4-fluorophenoxy)-N-(2-methylphenyl)propanamide
CID 7946714
N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789567
(2S)-N-(2,6-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 51473397
(2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide
CID 28574303
(2R)-N-(2,3-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2640909
N-(2,3-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 4931110
N-(2,3-dimethylphenyl)-2-(4-propylphenoxy)propanamide
CID 53266130
(2S)-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 9097735
N-(2,3-dimethylphenyl)-2-(3-ethylphenoxy)propanamide
CID 53266821
N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide
CID 51161387
(2R)-N-(2,3-dimethylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 92880865

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide?
The IUPAC name of (2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide (CID 7733033) is (2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide?
The canonical SMILES for (2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide is Cc1cccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)c1C.
What is the InChIKey of (2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide?
The InChIKey is ULCCELHIJBOVQV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-11-5-4-6-16(12(11)2)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-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide?
(2S)-N-(2,3-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-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 7733033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).