2-(4-bromo-3-fluorophenyl)-2-(3-fluoroanilino)acetamide

C14H11BrF2N2O — CID 81437584

IUPAC2-(4-bromo-3-fluorophenyl)-2-(3-fluoroanilino)acetamide
SMILESNC(=O)C(Nc1cccc(F)c1)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H11BrF2N2O/c15-11-5-4-8(6-12(11)17)13(14(18)20)19-10-3-1-2-9(16)7-10/h1-7,13,19H,(H2,18,20)
InChIKeyYFDYMDWVGNNYEN-UHFFFAOYSA-N
MW341.16 g/mol
LogP3.37
Rot. Bonds4

About 2-(4-bromo-3-fluorophenyl)-2-(3-fluoroanilino)acetamide

2-(4-bromo-3-fluorophenyl)-2-(3-fluoroanilino)acetamide (PubChem CID 81437584) has the molecular formula C14H11BrF2N2O and a molecular weight of 341.16 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenyl)-2-(3-fluoroanilino)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenyl)-2-(3-fluoroanilino)acetamide
PubChem CID81437584
Molecular FormulaC14H11BrF2N2O
Molecular Weight341.16 g/mol
Exact Mass340.00
IUPAC Name2-(4-bromo-3-fluorophenyl)-2-(3-fluoroanilino)acetamide
SMILESNC(=O)C(Nc1cccc(F)c1)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H11BrF2N2O/c15-11-5-4-8(6-12(11)17)13(14(18)20)19-10-3-1-2-9(16)7-10/h1-7,13,19H,(H2,18,20)
InChIKeyYFDYMDWVGNNYEN-UHFFFAOYSA-N
XLogP3.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3-fluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide
CID 81431305
2-(3-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetic acid
CID 81437594
2-(4-bromo-3-fluorophenyl)-2-(3-fluoroanilino)ethanol
CID 81440489
2-(3-fluoroanilino)-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 60996040
2-(4-bromo-3-methylphenyl)-2-(4-fluoroanilino)acetamide
CID 66480971
methyl 2-(4-bromophenyl)-2-(3-fluoroanilino)acetate
CID 60993451
2-(3-bromoanilino)-2-(4-chlorophenyl)acetamide
CID 54891742
2-(benzylamino)-2-(4-bromo-3-fluorophenyl)acetamide
CID 81436090
2-(3-bromo-4-chloroanilino)-2-(3,5-difluorophenyl)acetamide
CID 106528880
2-(3-fluoroanilino)-2-(2,4,6-trimethylphenyl)acetamide
CID 60996177
2-(4-bromo-3-fluorophenyl)-2-(2-methylpropylamino)acetamide
CID 81436324
2-(3-bromo-4-chloroanilino)-2-(3-chloro-4-fluorophenyl)acetamide
CID 81146753

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenyl)-2-(3-fluoroanilino)acetamide?
The IUPAC name of 2-(4-bromo-3-fluorophenyl)-2-(3-fluoroanilino)acetamide (CID 81437584) is 2-(4-bromo-3-fluorophenyl)-2-(3-fluoroanilino)acetamide.
What is the SMILES notation for 2-(4-bromo-3-fluorophenyl)-2-(3-fluoroanilino)acetamide?
The canonical SMILES for 2-(4-bromo-3-fluorophenyl)-2-(3-fluoroanilino)acetamide is NC(=O)C(Nc1cccc(F)c1)c1ccc(Br)c(F)c1.
What is the InChIKey of 2-(4-bromo-3-fluorophenyl)-2-(3-fluoroanilino)acetamide?
The InChIKey is YFDYMDWVGNNYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O/c15-11-5-4-8(6-12(11)17)13(14(18)20)19-10-3-1-2-9(16)7-10/h1-7,13,19H,(H2,18,20).
What are the key properties of 2-(4-bromo-3-fluorophenyl)-2-(3-fluoroanilino)acetamide?
2-(4-bromo-3-fluorophenyl)-2-(3-fluoroanilino)acetamide has a molecular weight of 341.16 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenyl)-2-(3-fluoroanilino)acetamide is sourced from PubChem (CID 81437584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).