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

C17H16BrClN2O2 — CID 2118904

IUPAC4-bromo-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Br)cc1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H16BrClN2O2/c18-14-5-3-13(4-6-14)17(23)21-11-16(22)20-10-9-12-1-7-15(19)8-2-12/h1-8H,9-11H2,(H,20,22)(H,21,23)
InChIKeyHGGWXSZLMALKDG-UHFFFAOYSA-N
MW395.68 g/mol
LogP3.19
Rot. Bonds6

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

4-bromo-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide (PubChem CID 2118904) has the molecular formula C17H16BrClN2O2 and a molecular weight of 395.68 g/mol. Its IUPAC name is 4-bromo-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide
PubChem CID2118904
Molecular FormulaC17H16BrClN2O2
Molecular Weight395.68 g/mol
Exact Mass394.01
IUPAC Name4-bromo-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Br)cc1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H16BrClN2O2/c18-14-5-3-13(4-6-14)17(23)21-11-16(22)20-10-9-12-1-7-15(19)8-2-12/h1-8H,9-11H2,(H,20,22)(H,21,23)
InChIKeyHGGWXSZLMALKDG-UHFFFAOYSA-N
XLogP3.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.68
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-4-chlorobenzamide
CID 18159580
4-bromo-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 8643346
2-(4-bromophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
CID 112993255
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 27646735
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 2569917
4-bromo-N-[3-oxo-3-[2-(4-propan-2-ylphenyl)ethylamino]propyl]benzamide
CID 24683750
2-[1-(4-bromophenyl)ethylamino]-N-[2-(4-chlorophenyl)ethyl]acetamide;oxalic acid
CID 47006345
2-(3-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113098238
1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043698
N-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94773934
4-chloro-N-[4-[2-(4-fluorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 27256594

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide (CID 2118904) is 4-bromo-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccc(Br)cc1)NCCc1ccc(Cl)cc1.
What is the InChIKey of 4-bromo-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide?
The InChIKey is HGGWXSZLMALKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O2/c18-14-5-3-13(4-6-14)17(23)21-11-16(22)20-10-9-12-1-7-15(19)8-2-12/h1-8H,9-11H2,(H,20,22)(H,21,23).
What are the key properties of 4-bromo-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide?
4-bromo-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide has a molecular weight of 395.68 g/mol, XLogP of 3.19, 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-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 2118904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).