2-(3-bromophenyl)-N-[2-(2,4-difluoroanilino)-2-oxoethyl]acetamide

C16H13BrF2N2O2 — CID 113000854

IUPAC2-(3-bromophenyl)-N-[2-(2,4-difluoroanilino)-2-oxoethyl]acetamide
SMILESO=C(Cc1cccc(Br)c1)NCC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H13BrF2N2O2/c17-11-3-1-2-10(6-11)7-15(22)20-9-16(23)21-14-5-4-12(18)8-13(14)19/h1-6,8H,7,9H2,(H,20,22)(H,21,23)
InChIKeyBQRYXYXWPIOZBP-UHFFFAOYSA-N
MW383.19 g/mol
LogP3.02
Rot. Bonds5

About 2-(3-bromophenyl)-N-[2-(2,4-difluoroanilino)-2-oxoethyl]acetamide

2-(3-bromophenyl)-N-[2-(2,4-difluoroanilino)-2-oxoethyl]acetamide (PubChem CID 113000854) has the molecular formula C16H13BrF2N2O2 and a molecular weight of 383.19 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[2-(2,4-difluoroanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[2-(2,4-difluoroanilino)-2-oxoethyl]acetamide
PubChem CID113000854
Molecular FormulaC16H13BrF2N2O2
Molecular Weight383.19 g/mol
Exact Mass382.01
IUPAC Name2-(3-bromophenyl)-N-[2-(2,4-difluoroanilino)-2-oxoethyl]acetamide
SMILESO=C(Cc1cccc(Br)c1)NCC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H13BrF2N2O2/c17-11-3-1-2-10(6-11)7-15(22)20-9-16(23)21-14-5-4-12(18)8-13(14)19/h1-6,8H,7,9H2,(H,20,22)(H,21,23)
InChIKeyBQRYXYXWPIOZBP-UHFFFAOYSA-N
XLogP3.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.19
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-N-[2-(2-fluoroanilino)-2-oxoethyl]acetamide
CID 112997653
2-(2-bromophenyl)-N-[2-(2,4-difluoroanilino)-2-oxoethyl]acetamide
CID 113000855
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
N-[2-(2,4-difluoroanilino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113000840
2-(4-bromophenyl)-N-(2,4-difluorophenyl)acetamide
CID 884138
N-[2-(2,4-difluoroanilino)-2-oxoethyl]-3-methylbenzamide
CID 9165041
2-(3-bromophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 112997253
methyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate
CID 55207927
N-(4-bromo-2-methylphenyl)-N'-(2,4-difluorophenyl)propanediamide
CID 108956659
N-(4-bromo-2,5-difluorophenyl)-2-(3-fluorophenyl)acetamide
CID 103842716
2-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 109011050

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[2-(2,4-difluoroanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[2-(2,4-difluoroanilino)-2-oxoethyl]acetamide (CID 113000854) is 2-(3-bromophenyl)-N-[2-(2,4-difluoroanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[2-(2,4-difluoroanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[2-(2,4-difluoroanilino)-2-oxoethyl]acetamide is O=C(Cc1cccc(Br)c1)NCC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 2-(3-bromophenyl)-N-[2-(2,4-difluoroanilino)-2-oxoethyl]acetamide?
The InChIKey is BQRYXYXWPIOZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF2N2O2/c17-11-3-1-2-10(6-11)7-15(22)20-9-16(23)21-14-5-4-12(18)8-13(14)19/h1-6,8H,7,9H2,(H,20,22)(H,21,23).
What are the key properties of 2-(3-bromophenyl)-N-[2-(2,4-difluoroanilino)-2-oxoethyl]acetamide?
2-(3-bromophenyl)-N-[2-(2,4-difluoroanilino)-2-oxoethyl]acetamide has a molecular weight of 383.19 g/mol, XLogP of 3.02, 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-(2,4-difluoroanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 113000854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).