2-(2-bromo-4,5-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide

C21H19BrFNO4 — CID 24672867

IUPAC2-(2-bromo-4,5-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide
SMILESCOc1cc(Br)c(CC(=O)NCc2ccc(-c3ccc(F)cc3)o2)cc1OC
InChIInChI=1S/C21H19BrFNO4/c1-26-19-9-14(17(22)11-20(19)27-2)10-21(25)24-12-16-7-8-18(28-16)13-3-5-15(23)6-4-13/h3-9,11H,10,12H2,1-2H3,(H,24,25)
InChIKeyYCBWIFZMHVCTER-UHFFFAOYSA-N
MW448.29 g/mol
LogP4.72
Rot. Bonds7

About 2-(2-bromo-4,5-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide

2-(2-bromo-4,5-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide (PubChem CID 24672867) has the molecular formula C21H19BrFNO4 and a molecular weight of 448.29 g/mol. Its IUPAC name is 2-(2-bromo-4,5-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,5-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide
PubChem CID24672867
Molecular FormulaC21H19BrFNO4
Molecular Weight448.29 g/mol
Exact Mass447.05
IUPAC Name2-(2-bromo-4,5-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide
SMILESCOc1cc(Br)c(CC(=O)NCc2ccc(-c3ccc(F)cc3)o2)cc1OC
InChIInChI=1S/C21H19BrFNO4/c1-26-19-9-14(17(22)11-20(19)27-2)10-21(25)24-12-16-7-8-18(28-16)13-3-5-15(23)6-4-13/h3-9,11H,10,12H2,1-2H3,(H,24,25)
InChIKeyYCBWIFZMHVCTER-UHFFFAOYSA-N
XLogP4.72
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.29
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dimethoxybenzamide
CID 24672781
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 9192585
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 24677331
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 24588403
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 9082502
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methoxyacetamide
CID 47140638
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(2-methoxyphenyl)propanamide
CID 18284866
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-methoxynaphthalene-2-carboxamide
CID 17335195
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 24672801
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-fluorobenzamide
CID 54858020
methyl (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]propanoate
CID 43723505
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]cyclopropanecarboxamide
CID 36895021

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide?
The IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide (CID 24672867) is 2-(2-bromo-4,5-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4,5-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(2-bromo-4,5-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide is COc1cc(Br)c(CC(=O)NCc2ccc(-c3ccc(F)cc3)o2)cc1OC.
What is the InChIKey of 2-(2-bromo-4,5-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide?
The InChIKey is YCBWIFZMHVCTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrFNO4/c1-26-19-9-14(17(22)11-20(19)27-2)10-21(25)24-12-16-7-8-18(28-16)13-3-5-15(23)6-4-13/h3-9,11H,10,12H2,1-2H3,(H,24,25).
What are the key properties of 2-(2-bromo-4,5-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide?
2-(2-bromo-4,5-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide has a molecular weight of 448.29 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide is sourced from PubChem (CID 24672867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).