N-[3-(4-fluorophenoxy)propyl]-4-(methoxymethyl)benzamide

C18H20FNO3 — CID 60601538

IUPACN-[3-(4-fluorophenoxy)propyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)NCCCOc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO3/c1-22-13-14-3-5-15(6-4-14)18(21)20-11-2-12-23-17-9-7-16(19)8-10-17/h3-10H,2,11-13H2,1H3,(H,20,21)
InChIKeyUDQGHUAODCKOHR-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.17
Rot. Bonds8

About N-[3-(4-fluorophenoxy)propyl]-4-(methoxymethyl)benzamide

N-[3-(4-fluorophenoxy)propyl]-4-(methoxymethyl)benzamide (PubChem CID 60601538) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-[3-(4-fluorophenoxy)propyl]-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenoxy)propyl]-4-(methoxymethyl)benzamide
PubChem CID60601538
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC NameN-[3-(4-fluorophenoxy)propyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)NCCCOc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO3/c1-22-13-14-3-5-15(6-4-14)18(21)20-11-2-12-23-17-9-7-16(19)8-10-17/h3-10H,2,11-13H2,1H3,(H,20,21)
InChIKeyUDQGHUAODCKOHR-UHFFFAOYSA-N
XLogP3.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.17
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-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045277
4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761255
N'-(4-fluorobenzoyl)-4-(methoxymethyl)benzohydrazide
CID 8573769
N-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide
CID 47473376
4-(methoxymethyl)-N-[2-(methylamino)ethyl]benzamide
CID 119503363
4-[(4-fluorophenyl)methylsulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109059819
4-cyano-N-[4-(4-fluorophenoxy)butyl]benzamide
CID 42572241
N-(3-aminopropyl)-4-(2-methoxyethoxy)benzamide;hydrochloride
CID 119406862
N-[4-(2-methoxyethoxy)phenyl]-4-(methoxymethyl)benzamide
CID 46441939
N-[4-(4-fluorophenoxy)butyl]-4-(methanesulfonamido)benzamide
CID 42123150
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
4-[[(3S,4R)-4-[4-[2-(4-fluorophenyl)ethoxy]phenyl]piperidin-3-yl]methoxy]-N-(3-methoxypropyl)benzamide
CID 126676938

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenoxy)propyl]-4-(methoxymethyl)benzamide?
The IUPAC name of N-[3-(4-fluorophenoxy)propyl]-4-(methoxymethyl)benzamide (CID 60601538) is N-[3-(4-fluorophenoxy)propyl]-4-(methoxymethyl)benzamide.
What is the SMILES notation for N-[3-(4-fluorophenoxy)propyl]-4-(methoxymethyl)benzamide?
The canonical SMILES for N-[3-(4-fluorophenoxy)propyl]-4-(methoxymethyl)benzamide is COCc1ccc(C(=O)NCCCOc2ccc(F)cc2)cc1.
What is the InChIKey of N-[3-(4-fluorophenoxy)propyl]-4-(methoxymethyl)benzamide?
The InChIKey is UDQGHUAODCKOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-22-13-14-3-5-15(6-4-14)18(21)20-11-2-12-23-17-9-7-16(19)8-10-17/h3-10H,2,11-13H2,1H3,(H,20,21).
What are the key properties of N-[3-(4-fluorophenoxy)propyl]-4-(methoxymethyl)benzamide?
N-[3-(4-fluorophenoxy)propyl]-4-(methoxymethyl)benzamide has a molecular weight of 317.36 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenoxy)propyl]-4-(methoxymethyl)benzamide is sourced from PubChem (CID 60601538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).