N-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]propanamide

C17H17FN2O3 — CID 18870253

IUPACN-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(OCC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C17H17FN2O3/c1-2-16(21)20-14-4-3-5-15(10-14)23-11-17(22)19-13-8-6-12(18)7-9-13/h3-10H,2,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyOFGBTZOWDCVWMK-UHFFFAOYSA-N
MW316.33 g/mol
LogP3.19
Rot. Bonds6

About N-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]propanamide

N-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]propanamide (PubChem CID 18870253) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is N-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]propanamide
PubChem CID18870253
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC NameN-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(OCC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C17H17FN2O3/c1-2-16(21)20-14-4-3-5-15(10-14)23-11-17(22)19-13-8-6-12(18)7-9-13/h3-10H,2,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyOFGBTZOWDCVWMK-UHFFFAOYSA-N
XLogP3.19
TPSA67.43 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 ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenoxy]acetate
CID 17341883
N-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide
CID 883065
2-(3-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 2709796
3-[2-(4-fluoroanilino)-2-oxoethoxy]benzoic acid
CID 900818
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732
N-[3-[2-(1-hydroxybutan-2-ylamino)-2-oxoethoxy]phenyl]propanamide
CID 50967022
2-(3-ethylphenoxy)-N-(3-fluorophenyl)acetamide
CID 2709979
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
N-[3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]propanamide
CID 807123
N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]propanamide
CID 17188267
2-(4-fluorophenoxy)-N-(3-hydroxyphenyl)acetamide
CID 6458581
N-[3-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethoxy]phenyl]propanamide
CID 18870292

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]propanamide?
The IUPAC name of N-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]propanamide (CID 18870253) is N-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]propanamide.
What is the SMILES notation for N-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]propanamide?
The canonical SMILES for N-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]propanamide is CCC(=O)Nc1cccc(OCC(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of N-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]propanamide?
The InChIKey is OFGBTZOWDCVWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-2-16(21)20-14-4-3-5-15(10-14)23-11-17(22)19-13-8-6-12(18)7-9-13/h3-10H,2,11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]propanamide?
N-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]propanamide has a molecular weight of 316.33 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]propanamide is sourced from PubChem (CID 18870253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).