4-bromo-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide

C17H16BrFN2O2 — CID 8643346

IUPAC4-bromo-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Br)cc1)NCCc1ccccc1F
InChIInChI=1S/C17H16BrFN2O2/c18-14-7-5-13(6-8-14)17(23)21-11-16(22)20-10-9-12-3-1-2-4-15(12)19/h1-8H,9-11H2,(H,20,22)(H,21,23)
InChIKeyATNJEFFULGNYJR-UHFFFAOYSA-N
MW379.23 g/mol
LogP2.68
Rot. Bonds6

About 4-bromo-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide

4-bromo-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide (PubChem CID 8643346) has the molecular formula C17H16BrFN2O2 and a molecular weight of 379.23 g/mol. Its IUPAC name is 4-bromo-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
PubChem CID8643346
Molecular FormulaC17H16BrFN2O2
Molecular Weight379.23 g/mol
Exact Mass378.04
IUPAC Name4-bromo-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Br)cc1)NCCc1ccccc1F
InChIInChI=1S/C17H16BrFN2O2/c18-14-7-5-13(6-8-14)17(23)21-11-16(22)20-10-9-12-3-1-2-4-15(12)19/h1-8H,9-11H2,(H,20,22)(H,21,23)
InChIKeyATNJEFFULGNYJR-UHFFFAOYSA-N
XLogP2.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 8636623
2-fluoro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 579782
N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112993331
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-3-methoxybenzamide
CID 35613279
4-bromo-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 2118904
3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methylbenzamide
CID 81472463
N-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78990913
4-N-cyclopropyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043298
5-bromo-2-fluoro-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 24694264
4-bromo-3-chloro-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 81306937
4-fluoro-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]benzamide
CID 46653260

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide (CID 8643346) is 4-bromo-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccc(Br)cc1)NCCc1ccccc1F.
What is the InChIKey of 4-bromo-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide?
The InChIKey is ATNJEFFULGNYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O2/c18-14-7-5-13(6-8-14)17(23)21-11-16(22)20-10-9-12-3-1-2-4-15(12)19/h1-8H,9-11H2,(H,20,22)(H,21,23).
What are the key properties of 4-bromo-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide?
4-bromo-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide has a molecular weight of 379.23 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 8643346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).