N-[1-(4-fluorophenyl)ethyl]-4-(methoxymethyl)benzamide

C17H18FNO2 — CID 17435884

IUPACN-[1-(4-fluorophenyl)ethyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)NC(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO2/c1-12(14-7-9-16(18)10-8-14)19-17(20)15-5-3-13(4-6-15)11-21-2/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyYSYFSMQJFIBJJF-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.46
Rot. Bonds5

About N-[1-(4-fluorophenyl)ethyl]-4-(methoxymethyl)benzamide

N-[1-(4-fluorophenyl)ethyl]-4-(methoxymethyl)benzamide (PubChem CID 17435884) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-4-(methoxymethyl)benzamide
PubChem CID17435884
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)NC(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO2/c1-12(14-7-9-16(18)10-8-14)19-17(20)15-5-3-13(4-6-15)11-21-2/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyYSYFSMQJFIBJJF-UHFFFAOYSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 8623654
4-(methoxymethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26957780
N'-(4-fluorobenzoyl)-4-(methoxymethyl)benzohydrazide
CID 8573769
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 95795806
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methoxymethyl)benzamide
CID 8620540
1-[1-(4-ethylphenyl)ethyl]-3-[(4-fluorobenzoyl)amino]urea
CID 86916186
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 9426583
N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide
CID 175162344
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(methylsulfamoyl)benzamide
CID 51537719
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(piperidin-4-ylmethyl)benzamide
CID 12050154

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4-(methoxymethyl)benzamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4-(methoxymethyl)benzamide (CID 17435884) is N-[1-(4-fluorophenyl)ethyl]-4-(methoxymethyl)benzamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-4-(methoxymethyl)benzamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-4-(methoxymethyl)benzamide is COCc1ccc(C(=O)NC(C)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-4-(methoxymethyl)benzamide?
The InChIKey is YSYFSMQJFIBJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-12(14-7-9-16(18)10-8-14)19-17(20)15-5-3-13(4-6-15)11-21-2/h3-10,12H,11H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-4-(methoxymethyl)benzamide?
N-[1-(4-fluorophenyl)ethyl]-4-(methoxymethyl)benzamide has a molecular weight of 287.33 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-4-(methoxymethyl)benzamide is sourced from PubChem (CID 17435884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).