N-(3-ethoxypropyl)-3-fluoro-4-methoxybenzamide

C13H18FNO3 — CID 99610658

IUPACN-(3-ethoxypropyl)-3-fluoro-4-methoxybenzamide
SMILESCCOCCCNC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C13H18FNO3/c1-3-18-8-4-7-15-13(16)10-5-6-12(17-2)11(14)9-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,16)
InChIKeyOZSQXAIXMJYLLP-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.99
Rot. Bonds7

About N-(3-ethoxypropyl)-3-fluoro-4-methoxybenzamide

N-(3-ethoxypropyl)-3-fluoro-4-methoxybenzamide (PubChem CID 99610658) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-3-fluoro-4-methoxybenzamide
PubChem CID99610658
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC NameN-(3-ethoxypropyl)-3-fluoro-4-methoxybenzamide
SMILESCCOCCCNC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C13H18FNO3/c1-3-18-8-4-7-15-13(16)10-5-6-12(17-2)11(14)9-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,16)
InChIKeyOZSQXAIXMJYLLP-UHFFFAOYSA-N
XLogP1.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.99
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-(4-bromobutyl)-3-fluoro-4-methoxybenzamide
CID 106845988
N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
CID 119383983
N-(3-ethoxypropyl)-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373708
3-fluoro-N-hex-5-ynyl-4-methoxybenzamide
CID 113256108
N-[3-(2-chloroethoxy)propyl]-4-fluoro-3-methoxybenzamide
CID 106306521
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 105097300
3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
CID 64997274
3-fluoro-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393720
N-[3-(2-aminoethoxy)propyl]-3-hydroxy-4-methoxybenzamide
CID 106307767
3-fluoro-4-methoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 35416969
3-fluoro-4-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163422

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-(3-ethoxypropyl)-3-fluoro-4-methoxybenzamide (CID 99610658) is N-(3-ethoxypropyl)-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(3-ethoxypropyl)-3-fluoro-4-methoxybenzamide is CCOCCCNC(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of N-(3-ethoxypropyl)-3-fluoro-4-methoxybenzamide?
The InChIKey is OZSQXAIXMJYLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-3-18-8-4-7-15-13(16)10-5-6-12(17-2)11(14)9-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-(3-ethoxypropyl)-3-fluoro-4-methoxybenzamide?
N-(3-ethoxypropyl)-3-fluoro-4-methoxybenzamide has a molecular weight of 255.29 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 99610658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).