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

C17H17BrFNO3 — CID 9192585

IUPAC2-(2-bromo-4,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCOc1cc(Br)c(CC(=O)NCc2ccc(F)cc2)cc1OC
InChIInChI=1S/C17H17BrFNO3/c1-22-15-7-12(14(18)9-16(15)23-2)8-17(21)20-10-11-3-5-13(19)6-4-11/h3-7,9H,8,10H2,1-2H3,(H,20,21)
InChIKeySGOLDAVTVNBVOZ-UHFFFAOYSA-N
MW382.23 g/mol
LogP3.46
Rot. Bonds6

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

2-(2-bromo-4,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 9192585) has the molecular formula C17H17BrFNO3 and a molecular weight of 382.23 g/mol. Its IUPAC name is 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID9192585
Molecular FormulaC17H17BrFNO3
Molecular Weight382.23 g/mol
Exact Mass381.04
IUPAC Name2-(2-bromo-4,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCOc1cc(Br)c(CC(=O)NCc2ccc(F)cc2)cc1OC
InChIInChI=1S/C17H17BrFNO3/c1-22-15-7-12(14(18)9-16(15)23-2)8-17(21)20-10-11-3-5-13(19)6-4-11/h3-7,9H,8,10H2,1-2H3,(H,20,21)
InChIKeySGOLDAVTVNBVOZ-UHFFFAOYSA-N
XLogP3.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.23
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 43220838
2-(2-bromo-4,5-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide
CID 24672867
2-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 27256771
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(3-chlorophenyl)methyl]acetamide
CID 9209889
2-(5-acetyl-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 30843339
2-(2-bromo-4,5-diethoxyphenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 31553468
2-(2-bromo-4,5-dimethoxyphenyl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 9211024
2-[5-bromo-4-[[(4-fluorophenyl)methylamino]methyl]-2-methoxyphenoxy]-N-tert-butylacetamide
CID 66534489
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 108984925
methyl 4-[[[2-(2-bromo-4,5-diethoxyphenyl)acetyl]amino]methyl]benzoate
CID 55386442

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide (CID 9192585) is 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide is COc1cc(Br)c(CC(=O)NCc2ccc(F)cc2)cc1OC.
What is the InChIKey of 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is SGOLDAVTVNBVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO3/c1-22-15-7-12(14(18)9-16(15)23-2)8-17(21)20-10-11-3-5-13(19)6-4-11/h3-7,9H,8,10H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 382.23 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 9192585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).