2-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide

C16H16F2N2O — CID 109000360

IUPAC2-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
SMILESO=C(CNc1cccc(F)c1)NCCc1ccccc1F
InChIInChI=1S/C16H16F2N2O/c17-13-5-3-6-14(10-13)20-11-16(21)19-9-8-12-4-1-2-7-15(12)18/h1-7,10,20H,8-9,11H2,(H,19,21)
InChIKeyLFFFSFAHFTVDOO-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.74
Rot. Bonds6

About 2-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide

2-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide (PubChem CID 109000360) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
PubChem CID109000360
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name2-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
SMILESO=C(CNc1cccc(F)c1)NCCc1ccccc1F
InChIInChI=1S/C16H16F2N2O/c17-13-5-3-6-14(10-13)20-11-16(21)19-9-8-12-4-1-2-7-15(12)18/h1-7,10,20H,8-9,11H2,(H,19,21)
InChIKeyLFFFSFAHFTVDOO-UHFFFAOYSA-N
XLogP2.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide (CID 109000360) is 2-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide is O=C(CNc1cccc(F)c1)NCCc1ccccc1F.
What is the InChIKey of 2-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide?
The InChIKey is LFFFSFAHFTVDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c17-13-5-3-6-14(10-13)20-11-16(21)19-9-8-12-4-1-2-7-15(12)18/h1-7,10,20H,8-9,11H2,(H,19,21).
What are the key properties of 2-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide?
2-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide has a molecular weight of 290.31 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 109000360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).