2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide

C19H22FN3O2 — CID 2580282

IUPAC2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide
SMILESCN(CC(=O)NCCc1ccccc1)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C19H22FN3O2/c1-23(14-19(25)22-17-9-5-8-16(20)12-17)13-18(24)21-11-10-15-6-3-2-4-7-15/h2-9,12H,10-11,13-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyXGOYDHQAKRRYJJ-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.05
Rot. Bonds8

About 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide

2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide (PubChem CID 2580282) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide
PubChem CID2580282
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide
SMILESCN(CC(=O)NCCc1ccccc1)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C19H22FN3O2/c1-23(14-19(25)22-17-9-5-8-16(20)12-17)13-18(24)21-11-10-15-6-3-2-4-7-15/h2-9,12H,10-11,13-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyXGOYDHQAKRRYJJ-UHFFFAOYSA-N
XLogP2.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide (CID 2580282) is 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide is CN(CC(=O)NCCc1ccccc1)CC(=O)Nc1cccc(F)c1.
What is the InChIKey of 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide?
The InChIKey is XGOYDHQAKRRYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-23(14-19(25)22-17-9-5-8-16(20)12-17)13-18(24)21-11-10-15-6-3-2-4-7-15/h2-9,12H,10-11,13-14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide?
2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide has a molecular weight of 343.40 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 2580282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).