N-(3-bromophenyl)-2-ethoxyacetamide

C10H12BrNO2 — CID 2162636

IUPACN-(3-bromophenyl)-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C10H12BrNO2/c1-2-14-7-10(13)12-9-5-3-4-8(11)6-9/h3-6H,2,7H2,1H3,(H,12,13)
InChIKeyXSYYMSZVVJSLHY-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.42
Rot. Bonds4

About N-(3-bromophenyl)-2-ethoxyacetamide

N-(3-bromophenyl)-2-ethoxyacetamide (PubChem CID 2162636) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-ethoxyacetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-ethoxyacetamide
PubChem CID2162636
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC NameN-(3-bromophenyl)-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C10H12BrNO2/c1-2-14-7-10(13)12-9-5-3-4-8(11)6-9/h3-6H,2,7H2,1H3,(H,12,13)
InChIKeyXSYYMSZVVJSLHY-UHFFFAOYSA-N
XLogP2.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-ethoxyacetamide?
The IUPAC name of N-(3-bromophenyl)-2-ethoxyacetamide (CID 2162636) is N-(3-bromophenyl)-2-ethoxyacetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-ethoxyacetamide?
The canonical SMILES for N-(3-bromophenyl)-2-ethoxyacetamide is CCOCC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-ethoxyacetamide?
The InChIKey is XSYYMSZVVJSLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-2-14-7-10(13)12-9-5-3-4-8(11)6-9/h3-6H,2,7H2,1H3,(H,12,13).
What are the key properties of N-(3-bromophenyl)-2-ethoxyacetamide?
N-(3-bromophenyl)-2-ethoxyacetamide has a molecular weight of 258.11 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-ethoxyacetamide is sourced from PubChem (CID 2162636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).