(2S)-N-(4-acetylphenyl)-2-(3-fluorophenoxy)propanamide

C17H16FNO3 — CID 7834470

IUPAC(2S)-N-(4-acetylphenyl)-2-(3-fluorophenoxy)propanamide
SMILESCC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(F)c2)cc1
InChIInChI=1S/C17H16FNO3/c1-11(20)13-6-8-15(9-7-13)19-17(21)12(2)22-16-5-3-4-14(18)10-16/h3-10,12H,1-2H3,(H,19,21)/t12-/m0/s1
InChIKeyBSBAWOZIFRHKDO-LBPRGKRZSA-N
MW301.32 g/mol
LogP3.43
Rot. Bonds5

About (2S)-N-(4-acetylphenyl)-2-(3-fluorophenoxy)propanamide

(2S)-N-(4-acetylphenyl)-2-(3-fluorophenoxy)propanamide (PubChem CID 7834470) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is (2S)-N-(4-acetylphenyl)-2-(3-fluorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-acetylphenyl)-2-(3-fluorophenoxy)propanamide
PubChem CID7834470
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Name(2S)-N-(4-acetylphenyl)-2-(3-fluorophenoxy)propanamide
SMILESCC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(F)c2)cc1
InChIInChI=1S/C17H16FNO3/c1-11(20)13-6-8-15(9-7-13)19-17(21)12(2)22-16-5-3-4-14(18)10-16/h3-10,12H,1-2H3,(H,19,21)/t12-/m0/s1
InChIKeyBSBAWOZIFRHKDO-LBPRGKRZSA-N
XLogP3.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-2-(3-methoxyphenoxy)propanamide
CID 19203966
N-(4-cyanophenyl)-2-(3-fluorophenoxy)propanamide
CID 43176837
N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 51233943
methyl N-[3-[2-(3-fluorophenoxy)propanoylamino]phenyl]carbamate
CID 87025785
N-(3-bromophenyl)-2-(3-fluorophenoxy)propanamide
CID 47119298
N-(5-acetamido-2-methylphenyl)-2-(3-fluorophenoxy)propanamide
CID 86986176
N-(4-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266489
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate
CID 2397766
(2S)-2-(3-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7818352
(4-acetamidophenyl) 2-(3-fluorophenoxy)propanoate
CID 47024197
(2R)-2-(3-fluorophenoxy)-N-(4-morpholin-4-ylphenyl)propanamide
CID 7781817
(2S)-N-(4-acetylphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9238804

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-acetylphenyl)-2-(3-fluorophenoxy)propanamide?
The IUPAC name of (2S)-N-(4-acetylphenyl)-2-(3-fluorophenoxy)propanamide (CID 7834470) is (2S)-N-(4-acetylphenyl)-2-(3-fluorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(4-acetylphenyl)-2-(3-fluorophenoxy)propanamide?
The canonical SMILES for (2S)-N-(4-acetylphenyl)-2-(3-fluorophenoxy)propanamide is CC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(F)c2)cc1.
What is the InChIKey of (2S)-N-(4-acetylphenyl)-2-(3-fluorophenoxy)propanamide?
The InChIKey is BSBAWOZIFRHKDO-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-11(20)13-6-8-15(9-7-13)19-17(21)12(2)22-16-5-3-4-14(18)10-16/h3-10,12H,1-2H3,(H,19,21)/t12-/m0/s1.
What are the key properties of (2S)-N-(4-acetylphenyl)-2-(3-fluorophenoxy)propanamide?
(2S)-N-(4-acetylphenyl)-2-(3-fluorophenoxy)propanamide has a molecular weight of 301.32 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-acetylphenyl)-2-(3-fluorophenoxy)propanamide is sourced from PubChem (CID 7834470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).