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

C17H16BrFN2O2 — CID 18104952

IUPAC2-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Br)NCCc1ccc(F)cc1
InChIInChI=1S/C17H16BrFN2O2/c18-15-4-2-1-3-14(15)17(23)21-11-16(22)20-10-9-12-5-7-13(19)8-6-12/h1-8H,9-11H2,(H,20,22)(H,21,23)
InChIKeyYRPOBPTZARIHOG-UHFFFAOYSA-N
MW379.23 g/mol
LogP2.68
Rot. Bonds6

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

2-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]benzamide (PubChem CID 18104952) has the molecular formula C17H16BrFN2O2 and a molecular weight of 379.23 g/mol. Its IUPAC name is 2-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
PubChem CID18104952
Molecular FormulaC17H16BrFN2O2
Molecular Weight379.23 g/mol
Exact Mass378.04
IUPAC Name2-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Br)NCCc1ccc(F)cc1
InChIInChI=1S/C17H16BrFN2O2/c18-15-4-2-1-3-14(15)17(23)21-11-16(22)20-10-9-12-5-7-13(19)8-6-12/h1-8H,9-11H2,(H,20,22)(H,21,23)
InChIKeyYRPOBPTZARIHOG-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

N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-methylbenzamide
CID 2681293
2-(2-bromoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 33161527
2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
CID 112993239
2-bromo-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 18162727
2-bromo-5-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 9210550
2-[(2-bromophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 9391761
2-bromo-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide
CID 16889430
2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 699177
2-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 18106416
2-bromo-N-[2-(3-phenylpropanoylamino)ethyl]benzamide
CID 108539128
2-iodo-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263740
3-(2-bromophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 55704570

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]benzamide (CID 18104952) is 2-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1Br)NCCc1ccc(F)cc1.
What is the InChIKey of 2-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]benzamide?
The InChIKey is YRPOBPTZARIHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O2/c18-15-4-2-1-3-14(15)17(23)21-11-16(22)20-10-9-12-5-7-13(19)8-6-12/h1-8H,9-11H2,(H,20,22)(H,21,23).
What are the key properties of 2-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]benzamide?
2-bromo-N-[2-[2-(4-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 2-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 18104952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).