N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(2,4-dimethylphenoxy)acetamide

C21H20BrNO3 — CID 9204148

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c(C)c1
InChIInChI=1S/C21H20BrNO3/c1-14-3-9-19(15(2)11-14)25-13-21(24)23-12-18-8-10-20(26-18)16-4-6-17(22)7-5-16/h3-11H,12-13H2,1-2H3,(H,23,24)
InChIKeyBHYDXNUDABKULS-UHFFFAOYSA-N
MW414.30 g/mol
LogP5.02
Rot. Bonds6

About N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(2,4-dimethylphenoxy)acetamide

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(2,4-dimethylphenoxy)acetamide (PubChem CID 9204148) has the molecular formula C21H20BrNO3 and a molecular weight of 414.30 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(2,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(2,4-dimethylphenoxy)acetamide
PubChem CID9204148
Molecular FormulaC21H20BrNO3
Molecular Weight414.30 g/mol
Exact Mass413.06
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c(C)c1
InChIInChI=1S/C21H20BrNO3/c1-14-3-9-19(15(2)11-14)25-13-21(24)23-12-18-8-10-20(26-18)16-4-6-17(22)7-5-16/h3-11H,12-13H2,1-2H3,(H,23,24)
InChIKeyBHYDXNUDABKULS-UHFFFAOYSA-N
XLogP5.02
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.30
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 17335241
2-(4-chloro-3,5-dimethylphenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
CID 54859110
2-(4-chloro-2-methylphenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methylcarbamothioyl]acetamide
CID 54860411
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-methylbenzamide
CID 9204101
2-(2,4-dimethylphenoxy)-N-ethylacetamide
CID 965411
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 24588403
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 24677331
2-(4-bromophenoxy)-N-[[5-(4-bromophenyl)furan-2-yl]methylcarbamothioyl]acetamide
CID 54860262
2-(2-acetyl-4-fluorophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
CID 112771182
1-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 71899906
N-[[5-(4-bromophenyl)furan-2-yl]methylcarbamothioyl]-2-(4-tert-butylphenoxy)acetamide
CID 54860237
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(2,4-dimethylphenoxy)acetamide?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(2,4-dimethylphenoxy)acetamide (CID 9204148) is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(2,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(2,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(2,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c(C)c1.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(2,4-dimethylphenoxy)acetamide?
The InChIKey is BHYDXNUDABKULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrNO3/c1-14-3-9-19(15(2)11-14)25-13-21(24)23-12-18-8-10-20(26-18)16-4-6-17(22)7-5-16/h3-11H,12-13H2,1-2H3,(H,23,24).
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(2,4-dimethylphenoxy)acetamide?
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(2,4-dimethylphenoxy)acetamide has a molecular weight of 414.30 g/mol, XLogP of 5.02, 6 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-(2,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 9204148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).