2-(2-bromoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide

C16H16BrFN2O — CID 33161527

IUPAC2-(2-bromoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(CNc1ccccc1Br)NCCc1ccc(F)cc1
InChIInChI=1S/C16H16BrFN2O/c17-14-3-1-2-4-15(14)20-11-16(21)19-10-9-12-5-7-13(18)8-6-12/h1-8,20H,9-11H2,(H,19,21)
InChIKeyXPNJFXYQCSDIJK-UHFFFAOYSA-N
MW351.22 g/mol
LogP3.36
Rot. Bonds6

About 2-(2-bromoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide

2-(2-bromoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 33161527) has the molecular formula C16H16BrFN2O and a molecular weight of 351.22 g/mol. Its IUPAC name is 2-(2-bromoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-bromoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID33161527
Molecular FormulaC16H16BrFN2O
Molecular Weight351.22 g/mol
Exact Mass350.04
IUPAC Name2-(2-bromoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(CNc1ccccc1Br)NCCc1ccc(F)cc1
InChIInChI=1S/C16H16BrFN2O/c17-14-3-1-2-4-15(14)20-11-16(21)19-10-9-12-5-7-13(18)8-6-12/h1-8,20H,9-11H2,(H,19,21)
InChIKeyXPNJFXYQCSDIJK-UHFFFAOYSA-N
XLogP3.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide
CID 35811388
N-[2-(4-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)anilino]acetamide
CID 109000567
2-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 18104952
2-[(2-bromophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 9391761
3-(2-bromoanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 109027975
N-(2-bromophenyl)-3-(4-fluorophenyl)propanamide
CID 51194781
2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
CID 112993239
2-(2-bromoanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 54816624
2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 36856140
3-(2-bromophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 55704570
2-(2-bromoanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 33161602
2-(4-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 37476152

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(2-bromoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 33161527) is 2-(2-bromoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-bromoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-bromoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide is O=C(CNc1ccccc1Br)NCCc1ccc(F)cc1.
What is the InChIKey of 2-(2-bromoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is XPNJFXYQCSDIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O/c17-14-3-1-2-4-15(14)20-11-16(21)19-10-9-12-5-7-13(18)8-6-12/h1-8,20H,9-11H2,(H,19,21).
What are the key properties of 2-(2-bromoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-(2-bromoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 351.22 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 33161527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).