4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]benzamide

C17H17FN2O3 — CID 51139810

IUPAC4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]benzamide
SMILESCC(NC(=O)COc1ccc(C(N)=O)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O3/c1-11(12-2-6-14(18)7-3-12)20-16(21)10-23-15-8-4-13(5-9-15)17(19)22/h2-9,11H,10H2,1H3,(H2,19,22)(H,20,21)
InChIKeyRNRGCWYZQZLRSQ-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.18
Rot. Bonds6

About 4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]benzamide

4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]benzamide (PubChem CID 51139810) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]benzamide
PubChem CID51139810
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]benzamide
SMILESCC(NC(=O)COc1ccc(C(N)=O)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O3/c1-11(12-2-6-14(18)7-3-12)20-16(21)10-23-15-8-4-13(5-9-15)17(19)22/h2-9,11H,10H2,1H3,(H2,19,22)(H,20,21)
InChIKeyRNRGCWYZQZLRSQ-UHFFFAOYSA-N
XLogP2.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 61026509
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632446
N-[1-(4-fluorophenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 110876946
2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2462788
2-(4-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561037
2-(4-ethylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561038
4-[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 7931207
methyl N-[4-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]phenyl]carbamate
CID 94537723
methyl 2-[4-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]phenyl]acetate
CID 94014472
methyl N-[4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]carbamate
CID 47059941
N-[1-(4-fluorophenyl)ethyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 43906314
N-[1-(4-fluorophenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 43906829

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]benzamide?
The IUPAC name of 4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]benzamide (CID 51139810) is 4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]benzamide?
The canonical SMILES for 4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]benzamide is CC(NC(=O)COc1ccc(C(N)=O)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]benzamide?
The InChIKey is RNRGCWYZQZLRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-11(12-2-6-14(18)7-3-12)20-16(21)10-23-15-8-4-13(5-9-15)17(19)22/h2-9,11H,10H2,1H3,(H2,19,22)(H,20,21).
What are the key properties of 4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]benzamide?
4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]benzamide has a molecular weight of 316.33 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 51139810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).