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

C18H20FNO4 — CID 86836580

IUPAC3-fluoro-4-methoxy-N-[3-(4-methoxyphenoxy)propyl]benzamide
SMILESCOc1ccc(OCCCNC(=O)c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C18H20FNO4/c1-22-14-5-7-15(8-6-14)24-11-3-10-20-18(21)13-4-9-17(23-2)16(19)12-13/h4-9,12H,3,10-11H2,1-2H3,(H,20,21)
InChIKeyPFUABRDXYALTFH-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.04
Rot. Bonds8

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

3-fluoro-4-methoxy-N-[3-(4-methoxyphenoxy)propyl]benzamide (PubChem CID 86836580) has the molecular formula C18H20FNO4 and a molecular weight of 333.36 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[3-(4-methoxyphenoxy)propyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[3-(4-methoxyphenoxy)propyl]benzamide
PubChem CID86836580
Molecular FormulaC18H20FNO4
Molecular Weight333.36 g/mol
Exact Mass333.14
IUPAC Name3-fluoro-4-methoxy-N-[3-(4-methoxyphenoxy)propyl]benzamide
SMILESCOc1ccc(OCCCNC(=O)c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C18H20FNO4/c1-22-14-5-7-15(8-6-14)24-11-3-10-20-18(21)13-4-9-17(23-2)16(19)12-13/h4-9,12H,3,10-11H2,1-2H3,(H,20,21)
InChIKeyPFUABRDXYALTFH-UHFFFAOYSA-N
XLogP3.04
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 26976673
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N-(4-bromobutyl)-3-fluoro-4-methoxybenzamide
CID 106845988
N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
CID 119383983
4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-3-nitrobenzamide
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3-fluoro-4-methoxy-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100611701
3-fluoro-N-hex-5-ynyl-4-methoxybenzamide
CID 113256108
3-(difluoromethoxy)-4-methoxy-N-(3-phenoxypropyl)benzamide
CID 55739120
3-fluoro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
CID 78891709
3-ethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-propoxybenzamide
CID 55416508
3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
CID 64997274
N-[2-(4-chlorophenoxy)ethyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 46489928

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[3-(4-methoxyphenoxy)propyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[3-(4-methoxyphenoxy)propyl]benzamide (CID 86836580) is 3-fluoro-4-methoxy-N-[3-(4-methoxyphenoxy)propyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[3-(4-methoxyphenoxy)propyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[3-(4-methoxyphenoxy)propyl]benzamide is COc1ccc(OCCCNC(=O)c2ccc(OC)c(F)c2)cc1.
What is the InChIKey of 3-fluoro-4-methoxy-N-[3-(4-methoxyphenoxy)propyl]benzamide?
The InChIKey is PFUABRDXYALTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4/c1-22-14-5-7-15(8-6-14)24-11-3-10-20-18(21)13-4-9-17(23-2)16(19)12-13/h4-9,12H,3,10-11H2,1-2H3,(H,20,21).
What are the key properties of 3-fluoro-4-methoxy-N-[3-(4-methoxyphenoxy)propyl]benzamide?
3-fluoro-4-methoxy-N-[3-(4-methoxyphenoxy)propyl]benzamide has a molecular weight of 333.36 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[3-(4-methoxyphenoxy)propyl]benzamide is sourced from PubChem (CID 86836580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).