3-(4-fluoro-N-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]anilino)propanamide

C20H23F2N3O3 — CID 34721565

IUPAC3-(4-fluoro-N-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]anilino)propanamide
SMILESCN(CCOc1ccc(F)cc1)CC(=O)N(CCC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C20H23F2N3O3/c1-24(12-13-28-18-8-4-16(22)5-9-18)14-20(27)25(11-10-19(23)26)17-6-2-15(21)3-7-17/h2-9H,10-14H2,1H3,(H2,23,26)
InChIKeyFJYPWYDLIFYIBJ-UHFFFAOYSA-N
MW391.42 g/mol
LogP2.18
Rot. Bonds10

About 3-(4-fluoro-N-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]anilino)propanamide

3-(4-fluoro-N-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]anilino)propanamide (PubChem CID 34721565) has the molecular formula C20H23F2N3O3 and a molecular weight of 391.42 g/mol. Its IUPAC name is 3-(4-fluoro-N-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]anilino)propanamide.

Molecular Properties

Compound Name3-(4-fluoro-N-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]anilino)propanamide
PubChem CID34721565
Molecular FormulaC20H23F2N3O3
Molecular Weight391.42 g/mol
Exact Mass391.17
IUPAC Name3-(4-fluoro-N-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]anilino)propanamide
SMILESCN(CCOc1ccc(F)cc1)CC(=O)N(CCC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C20H23F2N3O3/c1-24(12-13-28-18-8-4-16(22)5-9-18)14-20(27)25(11-10-19(23)26)17-6-2-15(21)3-7-17/h2-9H,10-14H2,1H3,(H2,23,26)
InChIKeyFJYPWYDLIFYIBJ-UHFFFAOYSA-N
XLogP2.18
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-fluorophenoxy)ethyl-methylamino]-N,N-dimethylacetamide
CID 51073531
3-(4-fluoro-N-[2-(4-methoxyphenoxy)acetyl]anilino)propanamide
CID 17419390
3-(4-fluoro-N-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]anilino)propanamide
CID 34688622
N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 24534552
4-[[[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 37214883
3-(N-[2-[(2-anilino-2-oxoethyl)-methylamino]acetyl]-4-fluoroanilino)propanamide
CID 55639254
3-[4-fluoro-N-[3-(4-methoxyphenyl)sulfanylpropanoyl]anilino]propanamide
CID 99164681
3-(4-fluoro-N-[2-(4-nitrophenoxy)acetyl]anilino)propanamide
CID 27310527
3-(4-fluoro-N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetyl]anilino)propanamide
CID 34698785
3-(N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]acetyl]-4-fluoroanilino)propanamide
CID 34693159
3-(N-[2-[4-(4-fluorobenzoyl)phenoxy]acetyl]anilino)propanamide
CID 37324442
4-(4-fluorophenoxy)butanamide
CID 43244704

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-N-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]anilino)propanamide?
The IUPAC name of 3-(4-fluoro-N-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]anilino)propanamide (CID 34721565) is 3-(4-fluoro-N-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]anilino)propanamide.
What is the SMILES notation for 3-(4-fluoro-N-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]anilino)propanamide?
The canonical SMILES for 3-(4-fluoro-N-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]anilino)propanamide is CN(CCOc1ccc(F)cc1)CC(=O)N(CCC(N)=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluoro-N-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]anilino)propanamide?
The InChIKey is FJYPWYDLIFYIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O3/c1-24(12-13-28-18-8-4-16(22)5-9-18)14-20(27)25(11-10-19(23)26)17-6-2-15(21)3-7-17/h2-9H,10-14H2,1H3,(H2,23,26).
What are the key properties of 3-(4-fluoro-N-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]anilino)propanamide?
3-(4-fluoro-N-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]anilino)propanamide has a molecular weight of 391.42 g/mol, XLogP of 2.18, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-N-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]anilino)propanamide is sourced from PubChem (CID 34721565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).