ethyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-(3-fluorophenyl)acetate

C17H15BrFNO4 — CID 170644985

IUPACethyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-(3-fluorophenyl)acetate
SMILESCCOC(=O)C(NC(=O)c1cc(Br)ccc1O)c1cccc(F)c1
InChIInChI=1S/C17H15BrFNO4/c1-2-24-17(23)15(10-4-3-5-12(19)8-10)20-16(22)13-9-11(18)6-7-14(13)21/h3-9,15,21H,2H2,1H3,(H,20,22)
InChIKeyPRKMTVYQOPHOTI-UHFFFAOYSA-N
MW396.21 g/mol
LogP3.33
Rot. Bonds5

About ethyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-(3-fluorophenyl)acetate

ethyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-(3-fluorophenyl)acetate (PubChem CID 170644985) has the molecular formula C17H15BrFNO4 and a molecular weight of 396.21 g/mol. Its IUPAC name is ethyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-(3-fluorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-(3-fluorophenyl)acetate
PubChem CID170644985
Molecular FormulaC17H15BrFNO4
Molecular Weight396.21 g/mol
Exact Mass395.02
IUPAC Nameethyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-(3-fluorophenyl)acetate
SMILESCCOC(=O)C(NC(=O)c1cc(Br)ccc1O)c1cccc(F)c1
InChIInChI=1S/C17H15BrFNO4/c1-2-24-17(23)15(10-4-3-5-12(19)8-10)20-16(22)13-9-11(18)6-7-14(13)21/h3-9,15,21H,2H2,1H3,(H,20,22)
InChIKeyPRKMTVYQOPHOTI-UHFFFAOYSA-N
XLogP3.33
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.21
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(5-fluoro-2-hydroxybenzoyl)amino]propanoate
CID 115298966
ethyl 2-(cyclopentylamino)-2-(3-fluorophenyl)acetate
CID 54892911
5-bromo-2-hydroxy-N-pentan-3-ylbenzamide
CID 103600405
ethyl 2-(benzylamino)-2-(3-fluorophenyl)acetate
CID 60991187
(3-fluorophenyl)methyl 5-bromo-2-hydroxybenzoate
CID 2304436
ethyl 2-[(2,5-dibromobenzoyl)amino]propanoate
CID 114372027
4-bromo-N-[1-(3-fluorophenyl)ethyl]-2-methoxybenzamide
CID 78987865
(2R)-2-[(5-bromo-2-hydroxybenzoyl)amino]pentanoic acid
CID 107729511
5-bromo-2-hydroxy-N-(3-oxobutan-2-yl)benzamide
CID 107729642
4-bromo-N-[1-(3-fluorophenyl)ethyl]-2-sulfanylbenzamide
CID 107025551
ethyl 3-(3-fluorophenyl)-2,3-dihydroxypropanoate
CID 171865537
2-(ethylamino)-2-(3-fluorophenyl)acetamide
CID 60786563

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-(3-fluorophenyl)acetate?
The IUPAC name of ethyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-(3-fluorophenyl)acetate (CID 170644985) is ethyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-(3-fluorophenyl)acetate.
What is the SMILES notation for ethyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-(3-fluorophenyl)acetate?
The canonical SMILES for ethyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-(3-fluorophenyl)acetate is CCOC(=O)C(NC(=O)c1cc(Br)ccc1O)c1cccc(F)c1.
What is the InChIKey of ethyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-(3-fluorophenyl)acetate?
The InChIKey is PRKMTVYQOPHOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFNO4/c1-2-24-17(23)15(10-4-3-5-12(19)8-10)20-16(22)13-9-11(18)6-7-14(13)21/h3-9,15,21H,2H2,1H3,(H,20,22).
What are the key properties of ethyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-(3-fluorophenyl)acetate?
ethyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-(3-fluorophenyl)acetate has a molecular weight of 396.21 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-(3-fluorophenyl)acetate is sourced from PubChem (CID 170644985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).