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

C18H23BrN2O2 — CID 9296694

IUPAC2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(C)Cc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C18H23BrN2O2/c1-13(2)10-20-18(22)12-21(3)11-16-8-9-17(23-16)14-4-6-15(19)7-5-14/h4-9,13H,10-12H2,1-3H3,(H,20,22)
InChIKeyWHZUDCPAMXETEI-UHFFFAOYSA-N
MW379.30 g/mol
LogP3.91
Rot. Bonds7

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

2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-(2-methylpropyl)acetamide (PubChem CID 9296694) has the molecular formula C18H23BrN2O2 and a molecular weight of 379.30 g/mol. Its IUPAC name is 2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-(2-methylpropyl)acetamide
PubChem CID9296694
Molecular FormulaC18H23BrN2O2
Molecular Weight379.30 g/mol
Exact Mass378.09
IUPAC Name2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(C)Cc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C18H23BrN2O2/c1-13(2)10-20-18(22)12-21(3)11-16-8-9-17(23-16)14-4-6-15(19)7-5-14/h4-9,13H,10-12H2,1-3H3,(H,20,22)
InChIKeyWHZUDCPAMXETEI-UHFFFAOYSA-N
XLogP3.91
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-[(2S)-butan-2-yl]acetamide
CID 8596574
2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]acetic acid
CID 43386061
1-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]propan-2-ol
CID 62334158
2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 17474507
2-[(3-bromophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 112685371
2-[[5-(4-tert-butylphenyl)furan-2-yl]methyl-methylamino]acetic acid
CID 122035372
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide
CID 27209258
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methoxyacetamide
CID 47140638
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 78793300
N'-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]acetyl]benzohydrazide
CID 9435447
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylpropyl)acetamide
CID 9303536
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide
CID 9107485

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-(2-methylpropyl)acetamide (CID 9296694) is 2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN(C)Cc1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is WHZUDCPAMXETEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O2/c1-13(2)10-20-18(22)12-21(3)11-16-8-9-17(23-16)14-4-6-15(19)7-5-14/h4-9,13H,10-12H2,1-3H3,(H,20,22).
What are the key properties of 2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-(2-methylpropyl)acetamide?
2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 379.30 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 9296694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).