N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide

C17H18FNO4 — CID 112836868

IUPACN-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2cc(F)ccc2OC)c(O)c1
InChIInChI=1S/C17H18FNO4/c1-10(14-8-11(18)4-7-16(14)23-3)19-17(21)13-6-5-12(22-2)9-15(13)20/h4-10,20H,1-3H3,(H,19,21)
InChIKeyXFHOGOFGKGZSGF-UHFFFAOYSA-N
MW319.33 g/mol
LogP3.04
Rot. Bonds5

About N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide

N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide (PubChem CID 112836868) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide
PubChem CID112836868
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC NameN-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2cc(F)ccc2OC)c(O)c1
InChIInChI=1S/C17H18FNO4/c1-10(14-8-11(18)4-7-16(14)23-3)19-17(21)13-6-5-12(22-2)9-15(13)20/h4-10,20H,1-3H3,(H,19,21)
InChIKeyXFHOGOFGKGZSGF-UHFFFAOYSA-N
XLogP3.04
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 880770
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
2-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794579
N-[1-(2-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 43297787
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluorobenzamide
CID 2918181
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5-tetrafluorobenzamide
CID 43031434
2,4-dimethoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 17467082
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794723
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712170
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide
CID 39983681
2-chloro-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 26883056
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 22107778

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide (CID 112836868) is N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)NC(C)c2cc(F)ccc2OC)c(O)c1.
What is the InChIKey of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide?
The InChIKey is XFHOGOFGKGZSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4/c1-10(14-8-11(18)4-7-16(14)23-3)19-17(21)13-6-5-12(22-2)9-15(13)20/h4-10,20H,1-3H3,(H,19,21).
What are the key properties of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide?
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide has a molecular weight of 319.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 112836868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).