N-(3-bromophenyl)-2-methoxyacetamide

C9H10BrNO2 — CID 885967

IUPACN-(3-bromophenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C9H10BrNO2/c1-13-6-9(12)11-8-4-2-3-7(10)5-8/h2-5H,6H2,1H3,(H,11,12)
InChIKeyCWUFAQUGJVSSBQ-UHFFFAOYSA-N
MW244.09 g/mol
LogP2.03
Rot. Bonds3

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

N-(3-bromophenyl)-2-methoxyacetamide (PubChem CID 885967) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-methoxyacetamide
PubChem CID885967
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC NameN-(3-bromophenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C9H10BrNO2/c1-13-6-9(12)11-8-4-2-3-7(10)5-8/h2-5H,6H2,1H3,(H,11,12)
InChIKeyCWUFAQUGJVSSBQ-UHFFFAOYSA-N
XLogP2.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 52.03
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-methoxyacetamide?
The IUPAC name of N-(3-bromophenyl)-2-methoxyacetamide (CID 885967) is N-(3-bromophenyl)-2-methoxyacetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-methoxyacetamide?
The canonical SMILES for N-(3-bromophenyl)-2-methoxyacetamide is COCC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-methoxyacetamide?
The InChIKey is CWUFAQUGJVSSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c1-13-6-9(12)11-8-4-2-3-7(10)5-8/h2-5H,6H2,1H3,(H,11,12).
What are the key properties of N-(3-bromophenyl)-2-methoxyacetamide?
N-(3-bromophenyl)-2-methoxyacetamide has a molecular weight of 244.09 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-methoxyacetamide is sourced from PubChem (CID 885967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).