N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methoxyacetamide

C14H14BrNO3 — CID 47140638

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C14H14BrNO3/c1-18-9-14(17)16-8-12-6-7-13(19-12)10-2-4-11(15)5-3-10/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyVMDQFNSTIZQVMN-UHFFFAOYSA-N
MW324.17 g/mol
LogP2.97
Rot. Bonds5

About N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methoxyacetamide

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methoxyacetamide (PubChem CID 47140638) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methoxyacetamide
PubChem CID47140638
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C14H14BrNO3/c1-18-9-14(17)16-8-12-6-7-13(19-12)10-2-4-11(15)5-3-10/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyVMDQFNSTIZQVMN-UHFFFAOYSA-N
XLogP2.97
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 24588403
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(2,4-dimethylphenoxy)acetamide
CID 9204148
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 17335241
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-thiophen-3-ylacetamide
CID 24588409
2-(4-bromophenoxy)-N-[[5-(4-bromophenyl)furan-2-yl]methylcarbamothioyl]acetamide
CID 54860262
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylcyclopropane-1-carboxamide
CID 24588410
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-methylfuran-2-carboxamide
CID 46683025
5-bromo-N-[[5-(4-bromophenyl)furan-2-yl]methyl]furan-2-carboxamide
CID 17335172
N-[[5-(4-bromophenyl)furan-2-yl]methylcarbamothioyl]-2-(4-tert-butylphenoxy)acetamide
CID 54860237
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-methoxynaphthalene-2-carboxamide
CID 17335195
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 24677331
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2,2-diphenylacetamide
CID 17335196

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methoxyacetamide (CID 47140638) is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methoxyacetamide is COCC(=O)NCc1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methoxyacetamide?
The InChIKey is VMDQFNSTIZQVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3/c1-18-9-14(17)16-8-12-6-7-13(19-12)10-2-4-11(15)5-3-10/h2-7H,8-9H2,1H3,(H,16,17).
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methoxyacetamide?
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methoxyacetamide has a molecular weight of 324.17 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 47140638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).