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

C20H18BrNO3 — CID 24588403

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1
InChIInChI=1S/C20H18BrNO3/c1-24-17-8-2-14(3-9-17)12-20(23)22-13-18-10-11-19(25-18)15-4-6-16(21)7-5-15/h2-11H,12-13H2,1H3,(H,22,23)
InChIKeyAPNOZGAEGGZCTJ-UHFFFAOYSA-N
MW400.27 g/mol
LogP4.58
Rot. Bonds6

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

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 24588403) has the molecular formula C20H18BrNO3 and a molecular weight of 400.27 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
PubChem CID24588403
Molecular FormulaC20H18BrNO3
Molecular Weight400.27 g/mol
Exact Mass399.05
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1
InChIInChI=1S/C20H18BrNO3/c1-24-17-8-2-14(3-9-17)12-20(23)22-13-18-10-11-19(25-18)15-4-6-16(21)7-5-15/h2-11H,12-13H2,1H3,(H,22,23)
InChIKeyAPNOZGAEGGZCTJ-UHFFFAOYSA-N
XLogP4.58
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.27
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methoxyacetamide
CID 47140638
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-methylfuran-2-carboxamide
CID 46683025
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-thiophen-3-ylacetamide
CID 24588409
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-methoxynaphthalene-2-carboxamide
CID 17335195
5-bromo-N-[[5-(4-bromophenyl)furan-2-yl]methyl]furan-2-carboxamide
CID 17335172
2-(2-bromo-4,5-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide
CID 24672867
2-(4-bromophenoxy)-N-[[5-(4-bromophenyl)furan-2-yl]methylcarbamothioyl]acetamide
CID 54860262
methyl 4-[5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-yl]benzoate;hydrochloride
CID 17332933
N-[(2,5-dimethoxyphenyl)methyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 33113653
2-(4-bromophenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]acetamide
CID 108798758
N-[[5-(4-bromophenyl)furan-2-yl]methylcarbamothioyl]-2-(4-tert-butylphenoxy)acetamide
CID 54860237
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(2,4-dimethylphenoxy)acetamide
CID 9204148

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide (CID 24588403) is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is APNOZGAEGGZCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNO3/c1-24-17-8-2-14(3-9-17)12-20(23)22-13-18-10-11-19(25-18)15-4-6-16(21)7-5-15/h2-11H,12-13H2,1H3,(H,22,23).
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide?
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 400.27 g/mol, XLogP of 4.58, 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-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 24588403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).