2-(3-fluoro-4-methoxyphenyl)-N-(1-naphthalen-2-ylethyl)acetamide

C21H20FNO2 — CID 46599158

IUPAC2-(3-fluoro-4-methoxyphenyl)-N-(1-naphthalen-2-ylethyl)acetamide
SMILESCOc1ccc(CC(=O)NC(C)c2ccc3ccccc3c2)cc1F
InChIInChI=1S/C21H20FNO2/c1-14(17-9-8-16-5-3-4-6-18(16)13-17)23-21(24)12-15-7-10-20(25-2)19(22)11-15/h3-11,13-14H,12H2,1-2H3,(H,23,24)
InChIKeyQCBKKSGTWPKWQB-UHFFFAOYSA-N
MW337.39 g/mol
LogP4.41
Rot. Bonds5

About 2-(3-fluoro-4-methoxyphenyl)-N-(1-naphthalen-2-ylethyl)acetamide

2-(3-fluoro-4-methoxyphenyl)-N-(1-naphthalen-2-ylethyl)acetamide (PubChem CID 46599158) has the molecular formula C21H20FNO2 and a molecular weight of 337.39 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-N-(1-naphthalen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-N-(1-naphthalen-2-ylethyl)acetamide
PubChem CID46599158
Molecular FormulaC21H20FNO2
Molecular Weight337.39 g/mol
Exact Mass337.15
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-N-(1-naphthalen-2-ylethyl)acetamide
SMILESCOc1ccc(CC(=O)NC(C)c2ccc3ccccc3c2)cc1F
InChIInChI=1S/C21H20FNO2/c1-14(17-9-8-16-5-3-4-6-18(16)13-17)23-21(24)12-15-7-10-20(25-2)19(22)11-15/h3-11,13-14H,12H2,1-2H3,(H,23,24)
InChIKeyQCBKKSGTWPKWQB-UHFFFAOYSA-N
XLogP4.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 9032944
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 9113157
2-(4-methoxyphenyl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 974464
2-naphthalen-2-yl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 55709663
2-(3-fluoro-4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856029
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 9051371
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-pyridin-2-ylacetamide
CID 56704438
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46828547
N-[1-(3,4-difluorophenyl)ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51275714
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18118290
2-(3-fluoro-4-methoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9264320
2-methoxy-N-(1-naphthalen-2-ylethyl)acetamide
CID 43011314

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-(1-naphthalen-2-ylethyl)acetamide?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-(1-naphthalen-2-ylethyl)acetamide (CID 46599158) is 2-(3-fluoro-4-methoxyphenyl)-N-(1-naphthalen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-N-(1-naphthalen-2-ylethyl)acetamide?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-N-(1-naphthalen-2-ylethyl)acetamide is COc1ccc(CC(=O)NC(C)c2ccc3ccccc3c2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-N-(1-naphthalen-2-ylethyl)acetamide?
The InChIKey is QCBKKSGTWPKWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO2/c1-14(17-9-8-16-5-3-4-6-18(16)13-17)23-21(24)12-15-7-10-20(25-2)19(22)11-15/h3-11,13-14H,12H2,1-2H3,(H,23,24).
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-N-(1-naphthalen-2-ylethyl)acetamide?
2-(3-fluoro-4-methoxyphenyl)-N-(1-naphthalen-2-ylethyl)acetamide has a molecular weight of 337.39 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-N-(1-naphthalen-2-ylethyl)acetamide is sourced from PubChem (CID 46599158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).