4-butoxy-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide

C20H24FNO3 — CID 46530040

IUPAC4-butoxy-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NC(C)c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C20H24FNO3/c1-4-5-12-25-17-9-6-15(7-10-17)20(23)22-14(2)16-8-11-19(24-3)18(21)13-16/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,23)
InChIKeyMBSWMJCOLHBBIP-UHFFFAOYSA-N
MW345.41 g/mol
LogP4.50
Rot. Bonds8

About 4-butoxy-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide

4-butoxy-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide (PubChem CID 46530040) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is 4-butoxy-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
PubChem CID46530040
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name4-butoxy-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NC(C)c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C20H24FNO3/c1-4-5-12-25-17-9-6-15(7-10-17)20(23)22-14(2)16-8-11-19(24-3)18(21)13-16/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,23)
InChIKeyMBSWMJCOLHBBIP-UHFFFAOYSA-N
XLogP4.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.50
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

4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 9051353
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzamide
CID 18227017
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 46655748
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 17397646
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46655596
3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide
CID 55747285
N-[1-(4-tert-butylphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 133225143
3-(4-chlorophenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide
CID 51947174
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 24550128
2-(4-acetylphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 18200831
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18118290
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46448222

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-butoxy-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide (CID 46530040) is 4-butoxy-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide is CCCCOc1ccc(C(=O)NC(C)c2ccc(OC)c(F)c2)cc1.
What is the InChIKey of 4-butoxy-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide?
The InChIKey is MBSWMJCOLHBBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-4-5-12-25-17-9-6-15(7-10-17)20(23)22-14(2)16-8-11-19(24-3)18(21)13-16/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,23).
What are the key properties of 4-butoxy-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide?
4-butoxy-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide has a molecular weight of 345.41 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 46530040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).