3-fluoro-4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide

C18H20FNO3 — CID 51199371

IUPAC3-fluoro-4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
SMILESCCC(NC(=O)c1ccc(OC)c(F)c1)c1ccc(OC)cc1
InChIInChI=1S/C18H20FNO3/c1-4-16(12-5-8-14(22-2)9-6-12)20-18(21)13-7-10-17(23-3)15(19)11-13/h5-11,16H,4H2,1-3H3,(H,20,21)
InChIKeyQKLOYVURSKZQOG-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.72
Rot. Bonds6

About 3-fluoro-4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide

3-fluoro-4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide (PubChem CID 51199371) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
PubChem CID51199371
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name3-fluoro-4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
SMILESCCC(NC(=O)c1ccc(OC)c(F)c1)c1ccc(OC)cc1
InChIInChI=1S/C18H20FNO3/c1-4-16(12-5-8-14(22-2)9-6-12)20-18(21)13-7-10-17(23-3)15(19)11-13/h5-11,16H,4H2,1-3H3,(H,20,21)
InChIKeyQKLOYVURSKZQOG-UHFFFAOYSA-N
XLogP3.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)propyl]benzamide
CID 27853735
3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 100613058
N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide
CID 132651370
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133210902
3-methoxy-N-[1-(4-methoxyphenyl)propyl]-4-prop-2-enoxybenzamide
CID 24547727
3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 133184821
3-fluoro-4-methoxy-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100611701
3-methoxy-N-[(1R)-1-(4-methoxyphenyl)propyl]naphthalene-2-carboxamide
CID 9115734
3-fluoro-4-methoxy-N-(3-methyl-1-phenylbutyl)benzamide
CID 133225144
N-[(1S)-1-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704372
N-[(1R)-1,2-diphenylethyl]-3-fluoro-4-methoxybenzamide
CID 27708301

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide (CID 51199371) is 3-fluoro-4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide is CCC(NC(=O)c1ccc(OC)c(F)c1)c1ccc(OC)cc1.
What is the InChIKey of 3-fluoro-4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide?
The InChIKey is QKLOYVURSKZQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-4-16(12-5-8-14(22-2)9-6-12)20-18(21)13-7-10-17(23-3)15(19)11-13/h5-11,16H,4H2,1-3H3,(H,20,21).
What are the key properties of 3-fluoro-4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide?
3-fluoro-4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide has a molecular weight of 317.36 g/mol, XLogP of 3.72, 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-[1-(4-methoxyphenyl)propyl]benzamide is sourced from PubChem (CID 51199371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).