2-(3-bromophenyl)-N-[2-(2-fluoroanilino)-2-oxoethyl]acetamide

C16H14BrFN2O2 — CID 112997653

IUPAC2-(3-bromophenyl)-N-[2-(2-fluoroanilino)-2-oxoethyl]acetamide
SMILESO=C(Cc1cccc(Br)c1)NCC(=O)Nc1ccccc1F
InChIInChI=1S/C16H14BrFN2O2/c17-12-5-3-4-11(8-12)9-15(21)19-10-16(22)20-14-7-2-1-6-13(14)18/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKeyNKPUXZIVEDAWIC-UHFFFAOYSA-N
MW365.20 g/mol
LogP2.89
Rot. Bonds5

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

2-(3-bromophenyl)-N-[2-(2-fluoroanilino)-2-oxoethyl]acetamide (PubChem CID 112997653) has the molecular formula C16H14BrFN2O2 and a molecular weight of 365.20 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[2-(2-fluoroanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[2-(2-fluoroanilino)-2-oxoethyl]acetamide
PubChem CID112997653
Molecular FormulaC16H14BrFN2O2
Molecular Weight365.20 g/mol
Exact Mass364.02
IUPAC Name2-(3-bromophenyl)-N-[2-(2-fluoroanilino)-2-oxoethyl]acetamide
SMILESO=C(Cc1cccc(Br)c1)NCC(=O)Nc1ccccc1F
InChIInChI=1S/C16H14BrFN2O2/c17-12-5-3-4-11(8-12)9-15(21)19-10-16(22)20-14-7-2-1-6-13(14)18/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKeyNKPUXZIVEDAWIC-UHFFFAOYSA-N
XLogP2.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.20
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-N-[2-(2,4-difluoroanilino)-2-oxoethyl]acetamide
CID 113000854
2-(3-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]acetamide
CID 112996725
2-(3-bromophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]acetamide
CID 112996471
2-(3-bromophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 112997253
N-[2-(2-fluoroanilino)-2-oxoethyl]furan-2-carboxamide
CID 771844
2-(3-bromophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
CID 113002377
methyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate
CID 55207927
2-(3-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide
CID 112998184
2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
CID 112990659
2-(2-bromophenyl)-N-[2-(2,4-difluoroanilino)-2-oxoethyl]acetamide
CID 113000855
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-(3-bromophenyl)acetamide
CID 113000628
2-[(2-ethylphenyl)carbamoylamino]-N-(2-fluorophenyl)acetamide
CID 772197

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[2-(2-fluoroanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[2-(2-fluoroanilino)-2-oxoethyl]acetamide (CID 112997653) is 2-(3-bromophenyl)-N-[2-(2-fluoroanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[2-(2-fluoroanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[2-(2-fluoroanilino)-2-oxoethyl]acetamide is O=C(Cc1cccc(Br)c1)NCC(=O)Nc1ccccc1F.
What is the InChIKey of 2-(3-bromophenyl)-N-[2-(2-fluoroanilino)-2-oxoethyl]acetamide?
The InChIKey is NKPUXZIVEDAWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O2/c17-12-5-3-4-11(8-12)9-15(21)19-10-16(22)20-14-7-2-1-6-13(14)18/h1-8H,9-10H2,(H,19,21)(H,20,22).
What are the key properties of 2-(3-bromophenyl)-N-[2-(2-fluoroanilino)-2-oxoethyl]acetamide?
2-(3-bromophenyl)-N-[2-(2-fluoroanilino)-2-oxoethyl]acetamide has a molecular weight of 365.20 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[2-(2-fluoroanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 112997653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).