3-fluoro-4-methoxy-N-(2-naphthalen-2-yloxyethyl)benzamide

C20H18FNO3 — CID 26976673

IUPAC3-fluoro-4-methoxy-N-(2-naphthalen-2-yloxyethyl)benzamide
SMILESCOc1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1F
InChIInChI=1S/C20H18FNO3/c1-24-19-9-7-16(13-18(19)21)20(23)22-10-11-25-17-8-6-14-4-2-3-5-15(14)12-17/h2-9,12-13H,10-11H2,1H3,(H,22,23)
InChIKeyMVZXOKJFKXKLEK-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.80
Rot. Bonds6

About 3-fluoro-4-methoxy-N-(2-naphthalen-2-yloxyethyl)benzamide

3-fluoro-4-methoxy-N-(2-naphthalen-2-yloxyethyl)benzamide (PubChem CID 26976673) has the molecular formula C20H18FNO3 and a molecular weight of 339.37 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-(2-naphthalen-2-yloxyethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-(2-naphthalen-2-yloxyethyl)benzamide
PubChem CID26976673
Molecular FormulaC20H18FNO3
Molecular Weight339.37 g/mol
Exact Mass339.13
IUPAC Name3-fluoro-4-methoxy-N-(2-naphthalen-2-yloxyethyl)benzamide
SMILESCOc1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1F
InChIInChI=1S/C20H18FNO3/c1-24-19-9-7-16(13-18(19)21)20(23)22-10-11-25-17-8-6-14-4-2-3-5-15(14)12-17/h2-9,12-13H,10-11H2,1H3,(H,22,23)
InChIKeyMVZXOKJFKXKLEK-UHFFFAOYSA-N
XLogP3.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-methoxy-N-[3-(4-methoxyphenoxy)propyl]benzamide
CID 86836580
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361
6-methoxy-N-(2-phenoxyethyl)naphthalene-2-carboxamide
CID 5302937
3-fluoro-4-methoxy-N-(2-phenylsulfanylethyl)benzamide
CID 9483134
N-[2-(4-ethoxyphenoxy)ethyl]naphthalene-2-carboxamide
CID 9022506
3-fluoro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
CID 78891709
N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
CID 119383983
4-methoxy-3-methyl-N-(2-phenoxyethyl)benzamide
CID 100543454
N-(3-ethoxypropyl)-3-fluoro-4-methoxybenzamide
CID 99610658
3,4-dimethoxy-N-[2-(3-phenoxyphenoxy)ethyl]benzamide
CID 4065417
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 27514924
N-[2-(2-chlorophenoxy)ethyl]-6-methoxynaphthalene-2-carboxamide
CID 5302938

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-(2-naphthalen-2-yloxyethyl)benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-(2-naphthalen-2-yloxyethyl)benzamide (CID 26976673) is 3-fluoro-4-methoxy-N-(2-naphthalen-2-yloxyethyl)benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-(2-naphthalen-2-yloxyethyl)benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-(2-naphthalen-2-yloxyethyl)benzamide is COc1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-(2-naphthalen-2-yloxyethyl)benzamide?
The InChIKey is MVZXOKJFKXKLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO3/c1-24-19-9-7-16(13-18(19)21)20(23)22-10-11-25-17-8-6-14-4-2-3-5-15(14)12-17/h2-9,12-13H,10-11H2,1H3,(H,22,23).
What are the key properties of 3-fluoro-4-methoxy-N-(2-naphthalen-2-yloxyethyl)benzamide?
3-fluoro-4-methoxy-N-(2-naphthalen-2-yloxyethyl)benzamide has a molecular weight of 339.37 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-(2-naphthalen-2-yloxyethyl)benzamide is sourced from PubChem (CID 26976673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).