N-[(3-bromophenyl)methyl]-2-methoxyacetamide

C10H12BrNO2 — CID 56829070

IUPACN-[(3-bromophenyl)methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1cccc(Br)c1
InChIInChI=1S/C10H12BrNO2/c1-14-7-10(13)12-6-8-3-2-4-9(11)5-8/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyICFJGGPJCDPDJE-UHFFFAOYSA-N
MW258.11 g/mol
LogP1.71
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-2-methoxyacetamide

N-[(3-bromophenyl)methyl]-2-methoxyacetamide (PubChem CID 56829070) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-methoxyacetamide
PubChem CID56829070
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC NameN-[(3-bromophenyl)methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1cccc(Br)c1
InChIInChI=1S/C10H12BrNO2/c1-14-7-10(13)12-6-8-3-2-4-9(11)5-8/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyICFJGGPJCDPDJE-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromobenzyl)acetamide
CID 2824953
2-[(3-Bromobenzyl)amino]ethanol
CID 2215605
N-[1-(2-bromophenyl)propan-2-yl]-2-ethoxyacetamide
CID 71919199
2-methoxy-N-(1-phenylethyl)acetamide
CID 4308652
2-Methoxy-N-((1R)-1-phenylethyl)acetamide
CID 835321
2-methoxy-N-[(4-methylphenyl)methyl]acetamide
CID 823909
N-benzyl-2-methoxyacetamide
CID 836024
N-[(3-bromophenyl)methyl]-2,2-dimethylbutanamide
CID 62679367
Cambridge id 5216297
CID 2834229
Methyl (3-bromobenzyl)carbamate
CID 12090302
N-((4-Bromophenyl)methyl)acetamide
CID 15640188
N-(3-bromobenzyl)acetamide
CID 12175281

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-methoxyacetamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-methoxyacetamide (CID 56829070) is N-[(3-bromophenyl)methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-methoxyacetamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-methoxyacetamide is COCC(=O)NCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-methoxyacetamide?
The InChIKey is ICFJGGPJCDPDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-14-7-10(13)12-6-8-3-2-4-9(11)5-8/h2-5H,6-7H2,1H3,(H,12,13).
What are the key properties of N-[(3-bromophenyl)methyl]-2-methoxyacetamide?
N-[(3-bromophenyl)methyl]-2-methoxyacetamide has a molecular weight of 258.11 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-methoxyacetamide is sourced from PubChem (CID 56829070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).