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

C18H23BrN2O2 — CID 8596574

IUPAC2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-[(2S)-butan-2-yl]acetamide
SMILESCC[C@H](C)NC(=O)CN(C)Cc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C18H23BrN2O2/c1-4-13(2)20-18(22)12-21(3)11-16-9-10-17(23-16)14-5-7-15(19)8-6-14/h5-10,13H,4,11-12H2,1-3H3,(H,20,22)/t13-/m0/s1
InChIKeyIDISJDXOCNGKFZ-ZDUSSCGKSA-N
MW379.30 g/mol
LogP4.06
Rot. Bonds7

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

2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-[(2S)-butan-2-yl]acetamide (PubChem CID 8596574) 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-[(2S)-butan-2-yl]acetamide.

Molecular Properties

Compound Name2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-[(2S)-butan-2-yl]acetamide
PubChem CID8596574
Molecular FormulaC18H23BrN2O2
Molecular Weight379.30 g/mol
Exact Mass378.09
IUPAC Name2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-[(2S)-butan-2-yl]acetamide
SMILESCC[C@H](C)NC(=O)CN(C)Cc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C18H23BrN2O2/c1-4-13(2)20-18(22)12-21(3)11-16-9-10-17(23-16)14-5-7-15(19)8-6-14/h5-10,13H,4,11-12H2,1-3H3,(H,20,22)/t13-/m0/s1
InChIKeyIDISJDXOCNGKFZ-ZDUSSCGKSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 9296694
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
N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-2-amine
CID 4723768
2-[[5-(4-tert-butylphenyl)furan-2-yl]methyl-methylamino]acetic acid
CID 122035372
2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(2S)-butan-2-yl]acetamide
CID 94073665
2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 17391845
N'-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]acetyl]benzohydrazide
CID 9435447
2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-2-methylpropan-1-ol
CID 115666846
2-[(4-bromophenyl)methyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 9040145
[5-(4-bromophenyl)furan-2-yl]methyl-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylazanium
CID 8596739

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-[(2S)-butan-2-yl]acetamide?
The IUPAC name of 2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-[(2S)-butan-2-yl]acetamide (CID 8596574) is 2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-[(2S)-butan-2-yl]acetamide.
What is the SMILES notation for 2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-[(2S)-butan-2-yl]acetamide?
The canonical SMILES for 2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-[(2S)-butan-2-yl]acetamide is CC[C@H](C)NC(=O)CN(C)Cc1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-[(2S)-butan-2-yl]acetamide?
The InChIKey is IDISJDXOCNGKFZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23BrN2O2/c1-4-13(2)20-18(22)12-21(3)11-16-9-10-17(23-16)14-5-7-15(19)8-6-14/h5-10,13H,4,11-12H2,1-3H3,(H,20,22)/t13-/m0/s1.
What are the key properties of 2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-[(2S)-butan-2-yl]acetamide?
2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-N-[(2S)-butan-2-yl]acetamide has a molecular weight of 379.30 g/mol, XLogP of 4.06, 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-[(2S)-butan-2-yl]acetamide is sourced from PubChem (CID 8596574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).