2-(4-bromophenyl)-N-[2-(methylamino)-2-oxoethoxy]acetamide

C11H13BrN2O3 — CID 110495709

IUPAC2-(4-bromophenyl)-N-[2-(methylamino)-2-oxoethoxy]acetamide
SMILESCNC(=O)CONC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C11H13BrN2O3/c1-13-11(16)7-17-14-10(15)6-8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3,(H,13,16)(H,14,15)
InChIKeyNISLJJDGOJQJOA-UHFFFAOYSA-N
MW301.14 g/mol
LogP0.79
Rot. Bonds5

About 2-(4-bromophenyl)-N-[2-(methylamino)-2-oxoethoxy]acetamide

2-(4-bromophenyl)-N-[2-(methylamino)-2-oxoethoxy]acetamide (PubChem CID 110495709) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[2-(methylamino)-2-oxoethoxy]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[2-(methylamino)-2-oxoethoxy]acetamide
PubChem CID110495709
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name2-(4-bromophenyl)-N-[2-(methylamino)-2-oxoethoxy]acetamide
SMILESCNC(=O)CONC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C11H13BrN2O3/c1-13-11(16)7-17-14-10(15)6-8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3,(H,13,16)(H,14,15)
InChIKeyNISLJJDGOJQJOA-UHFFFAOYSA-N
XLogP0.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethylphenoxy)-N-[2-(methylamino)-2-oxoethoxy]acetamide
CID 110495647
2-(4-bromophenyl)-N-tert-butylacetamide
CID 3273942
N-[2-(methylamino)-2-oxoethoxy]-2-(2-nitrophenyl)acetamide
CID 110495684
2-[4-(aminomethyl)phenyl]-N-methylacetamide
CID 23301882
2-(4-bromophenyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119502206
2-[4-[(3-bromophenyl)methylamino]phenyl]-N-methylacetamide
CID 43713933
[2-oxo-2-(prop-2-ynylamino)ethyl] 2-(4-bromophenyl)acetate
CID 9342541
[2-(methylcarbamoylamino)-2-oxoethyl] 4-bromobenzoate
CID 2625657
2-(4-bromophenyl)-N-(5-methylhexan-2-yl)acetamide
CID 112789358
2-[3-[(4-bromophenyl)methylamino]phenoxy]-N-methylacetamide
CID 43693359
2-(4-ethylphenyl)-N-methylacetamide
CID 56921087
(Z)-2,3-bis[(4-bromophenyl)methyl]but-2-enedioic acid
CID 19009870

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[2-(methylamino)-2-oxoethoxy]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[2-(methylamino)-2-oxoethoxy]acetamide (CID 110495709) is 2-(4-bromophenyl)-N-[2-(methylamino)-2-oxoethoxy]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[2-(methylamino)-2-oxoethoxy]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[2-(methylamino)-2-oxoethoxy]acetamide is CNC(=O)CONC(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[2-(methylamino)-2-oxoethoxy]acetamide?
The InChIKey is NISLJJDGOJQJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c1-13-11(16)7-17-14-10(15)6-8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 2-(4-bromophenyl)-N-[2-(methylamino)-2-oxoethoxy]acetamide?
2-(4-bromophenyl)-N-[2-(methylamino)-2-oxoethoxy]acetamide has a molecular weight of 301.14 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[2-(methylamino)-2-oxoethoxy]acetamide is sourced from PubChem (CID 110495709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).