(2S)-N-[1-(2-fluorophenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide

C22H22FNO2 — CID 24545440

IUPAC(2S)-N-[1-(2-fluorophenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)NC(C)c3ccccc3F)ccc2c1
InChIInChI=1S/C22H22FNO2/c1-14(22(25)24-15(2)20-6-4-5-7-21(20)23)16-8-9-18-13-19(26-3)11-10-17(18)12-16/h4-15H,1-3H3,(H,24,25)/t14-,15?/m0/s1
InChIKeyILRXQEVVLRJKFZ-MLCCFXAWSA-N
MW351.42 g/mol
LogP4.97
Rot. Bonds5

About (2S)-N-[1-(2-fluorophenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide

(2S)-N-[1-(2-fluorophenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide (PubChem CID 24545440) has the molecular formula C22H22FNO2 and a molecular weight of 351.42 g/mol. Its IUPAC name is (2S)-N-[1-(2-fluorophenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[1-(2-fluorophenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
PubChem CID24545440
Molecular FormulaC22H22FNO2
Molecular Weight351.42 g/mol
Exact Mass351.16
IUPAC Name(2S)-N-[1-(2-fluorophenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)NC(C)c3ccccc3F)ccc2c1
InChIInChI=1S/C22H22FNO2/c1-14(22(25)24-15(2)20-6-4-5-7-21(20)23)16-8-9-18-13-19(26-3)11-10-17(18)12-16/h4-15H,1-3H3,(H,24,25)/t14-,15?/m0/s1
InChIKeyILRXQEVVLRJKFZ-MLCCFXAWSA-N
XLogP4.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[(1S)-1-(4-methoxyphenyl)propyl]propanamide
CID 39951625
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[(2S)-pentan-2-yl]propanamide
CID 95247403
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide
CID 39951624
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide
CID 55937335
N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxynaphthalen-2-yl)propanamide;hydrochloride
CID 120507302
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 94806001
(2S)-N-[(3-fluoro-4-methylphenyl)methyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 25316643
methyl 2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]-4-methylpentanoate
CID 14178708
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 9427304
(2S)-N-(2-hydroxypropyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 110901591
N-[bis(2-methoxyphenyl)methyl]-2-(4-methoxyphenyl)propanamide
CID 175079399

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(2-fluorophenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
The IUPAC name of (2S)-N-[1-(2-fluorophenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide (CID 24545440) is (2S)-N-[1-(2-fluorophenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide.
What is the SMILES notation for (2S)-N-[1-(2-fluorophenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
The canonical SMILES for (2S)-N-[1-(2-fluorophenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide is COc1ccc2cc([C@H](C)C(=O)NC(C)c3ccccc3F)ccc2c1.
What is the InChIKey of (2S)-N-[1-(2-fluorophenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
The InChIKey is ILRXQEVVLRJKFZ-MLCCFXAWSA-N. The full InChI is InChI=1S/C22H22FNO2/c1-14(22(25)24-15(2)20-6-4-5-7-21(20)23)16-8-9-18-13-19(26-3)11-10-17(18)12-16/h4-15H,1-3H3,(H,24,25)/t14-,15?/m0/s1.
What are the key properties of (2S)-N-[1-(2-fluorophenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
(2S)-N-[1-(2-fluorophenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide has a molecular weight of 351.42 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(2-fluorophenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide is sourced from PubChem (CID 24545440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).