[2-(4-fluorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate

C17H13BrFNO4 — CID 35651185

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1cccc(Br)c1)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H13BrFNO4/c18-13-3-1-2-12(8-13)17(23)20-9-16(22)24-10-15(21)11-4-6-14(19)7-5-11/h1-8H,9-10H2,(H,20,23)
InChIKeyPKTVUDSVDLUAAJ-UHFFFAOYSA-N
MW394.20 g/mol
LogP2.74
Rot. Bonds6

About [2-(4-fluorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate

[2-(4-fluorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate (PubChem CID 35651185) has the molecular formula C17H13BrFNO4 and a molecular weight of 394.20 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
PubChem CID35651185
Molecular FormulaC17H13BrFNO4
Molecular Weight394.20 g/mol
Exact Mass393.00
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1cccc(Br)c1)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H13BrFNO4/c18-13-3-1-2-12(8-13)17(23)20-9-16(22)24-10-15(21)11-4-6-14(19)7-5-11/h1-8H,9-10H2,(H,20,23)
InChIKeyPKTVUDSVDLUAAJ-UHFFFAOYSA-N
XLogP2.74
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.20
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(4-fluorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 46814133
[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 31667006
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 31228874
[2-(2,4-dichlorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 35651131
[2-(4-fluorophenyl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884853
[2-(3,4-difluorophenyl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 35716358
(2-oxo-2-piperidin-1-ylethyl) 2-[(3-bromobenzoyl)amino]acetate
CID 35661902
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662535
phenacyl 2-[(3-methoxybenzoyl)amino]acetate
CID 2165686
(3-carbamoylphenyl)methyl 2-[(3-bromobenzoyl)amino]acetate
CID 55634531
(4-bromo-2-fluorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate
CID 8662567
[2-(3-bromophenyl)-2-oxoethyl] propanoate
CID 174958294

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate (CID 35651185) is [2-(4-fluorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate is O=C(CNC(=O)c1cccc(Br)c1)OCC(=O)c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate?
The InChIKey is PKTVUDSVDLUAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFNO4/c18-13-3-1-2-12(8-13)17(23)20-9-16(22)24-10-15(21)11-4-6-14(19)7-5-11/h1-8H,9-10H2,(H,20,23).
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate?
[2-(4-fluorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate has a molecular weight of 394.20 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate is sourced from PubChem (CID 35651185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).