3-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethoxy]benzamide

C17H17BrN2O3 — CID 55680949

IUPAC3-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethoxy]benzamide
SMILESCC(NC(=O)COc1cccc(C(N)=O)c1)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrN2O3/c1-11(12-5-7-14(18)8-6-12)20-16(21)10-23-15-4-2-3-13(9-15)17(19)22/h2-9,11H,10H2,1H3,(H2,19,22)(H,20,21)
InChIKeyTWCTWHGHONVWCA-UHFFFAOYSA-N
MW377.24 g/mol
LogP2.80
Rot. Bonds6

About 3-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethoxy]benzamide

3-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethoxy]benzamide (PubChem CID 55680949) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is 3-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name3-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethoxy]benzamide
PubChem CID55680949
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC Name3-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethoxy]benzamide
SMILESCC(NC(=O)COc1cccc(C(N)=O)c1)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrN2O3/c1-11(12-5-7-14(18)8-6-12)20-16(21)10-23-15-4-2-3-13(9-15)17(19)22/h2-9,11H,10H2,1H3,(H2,19,22)(H,20,21)
InChIKeyTWCTWHGHONVWCA-UHFFFAOYSA-N
XLogP2.80
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenoxy)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 7948924
N-[1-(4-bromophenyl)ethyl]-2-(3-methoxyphenoxy)acetamide
CID 78760781
3-[2-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 99797134
2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 879347
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide
CID 9218863
2-(3-methylphenoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 99132930
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7948935
[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 46646103
N-[1-(3-acetamidophenyl)ethyl]-2-(4-bromophenoxy)acetamide
CID 46580359
2-(3-iodophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 7694493
4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]benzamide
CID 51139810
2-(3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 879297

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethoxy]benzamide?
The IUPAC name of 3-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethoxy]benzamide (CID 55680949) is 3-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 3-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethoxy]benzamide?
The canonical SMILES for 3-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethoxy]benzamide is CC(NC(=O)COc1cccc(C(N)=O)c1)c1ccc(Br)cc1.
What is the InChIKey of 3-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethoxy]benzamide?
The InChIKey is TWCTWHGHONVWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-11(12-5-7-14(18)8-6-12)20-16(21)10-23-15-4-2-3-13(9-15)17(19)22/h2-9,11H,10H2,1H3,(H2,19,22)(H,20,21).
What are the key properties of 3-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethoxy]benzamide?
3-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethoxy]benzamide has a molecular weight of 377.24 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 55680949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).